1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine

C54H59F5N6O6 — CID 157267566

IUPAC1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cccc(C(NC(=O)C2CCN(CCOc3ccccc3F)CC2)c2ccccn2)c1.NC(c1cccc(OC(F)(F)F)c1)c1ccccn1.O=C(O)C1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C27H30FN3O2.C14H18FNO3.C13H11F3N2O/c1-20-7-6-8-22(19-20)26(24-10-4-5-14-29-24)30-27(32)21-12-15-31(16-13-21)17-18-33-25-11-3-2-9-23(25)28;15-12-3-1-2-4-13(12)19-10-9-16-7-5-11(6-8-16)14(17)18;14-13(15,16)19-10-5-3-4-9(8-10)12(17)11-6-1-2-7-18-11/h2-11,14,19,21,26H,12-13,15-18H2,1H3,(H,30,32);1-4,11H,5-10H2,(H,17,18);1-8,12H,17H2
InChIKeyAYECQHXEDAYKHK-UHFFFAOYSA-N
MW983.09 g/mol
LogP9.56
Rot. Bonds16

About 1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine

1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 157267566) has the molecular formula C54H59F5N6O6 and a molecular weight of 983.09 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID157267566
Molecular FormulaC54H59F5N6O6
Molecular Weight983.09 g/mol
Exact Mass982.44
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cccc(C(NC(=O)C2CCN(CCOc3ccccc3F)CC2)c2ccccn2)c1.NC(c1cccc(OC(F)(F)F)c1)c1ccccn1.O=C(O)C1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C27H30FN3O2.C14H18FNO3.C13H11F3N2O/c1-20-7-6-8-22(19-20)26(24-10-4-5-14-29-24)30-27(32)21-12-15-31(16-13-21)17-18-33-25-11-3-2-9-23(25)28;15-12-3-1-2-4-13(12)19-10-9-16-7-5-11(6-8-16)14(17)18;14-13(15,16)19-10-5-3-4-9(8-10)12(17)11-6-1-2-7-18-11/h2-11,14,19,21,26H,12-13,15-18H2,1H3,(H,30,32);1-4,11H,5-10H2,(H,17,18);1-8,12H,17H2
InChIKeyAYECQHXEDAYKHK-UHFFFAOYSA-N
XLogP9.56
TPSA152.37 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.09
LogP ≤ 59.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,11,17,23-Tetrakis(2-aminoethyl)-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol;2,2,2-trifluoroacetic acid
CID 57395727
N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide
CID 46948290
1-[2-(4-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 49786278
N-[(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 49795546
N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide
CID 49795757
N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423664
1-Piperazineacetamide, N-(5,11-dihydro(1)benzoxepino(3,4-b)pyridin-5-yl)-4-methyl-, (E)-2-butenedioate, hydrate (2:2:3)
CID 24841947
N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 132459656
1-[4-[[4-[4-[3-[5-[[(1-Acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-fluorophenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone
CID 170696213
N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxamide
CID 132456272
1-[2-(4-fluorophenoxy)ethyl]-N-[(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 132456475
1-[2-(4-fluorophenoxy)ethyl]-N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 132460340

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine (CID 157267566) is 1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine is Cc1cccc(C(NC(=O)C2CCN(CCOc3ccccc3F)CC2)c2ccccn2)c1.NC(c1cccc(OC(F)(F)F)c1)c1ccccn1.O=C(O)C1CCN(CCOc2ccccc2F)CC1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is AYECQHXEDAYKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O2.C14H18FNO3.C13H11F3N2O/c1-20-7-6-8-22(19-20)26(24-10-4-5-14-29-24)30-27(32)21-12-15-31(16-13-21)17-18-33-25-11-3-2-9-23(25)28;15-12-3-1-2-4-13(12)19-10-9-16-7-5-11(6-8-16)14(17)18;14-13(15,16)19-10-5-3-4-9(8-10)12(17)11-6-1-2-7-18-11/h2-11,14,19,21,26H,12-13,15-18H2,1H3,(H,30,32);1-4,11H,5-10H2,(H,17,18);1-8,12H,17H2.
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 983.09 g/mol, XLogP of 9.56, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 157267566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).