methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine

C55H62F6N6O7 — CID 159038286

IUPACmethane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
SMILESC.NC(c1cccc(OC(F)(F)F)c1)c1ccccn1.O=C(NC(c1cccc(OC(F)(F)F)c1)c1ccccn1)C1CCN(CCOc2ccccc2)CC1.O=C(O)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H28F3N3O3.C14H19NO3.C13H11F3N2O.CH4/c28-27(29,30)36-23-10-6-7-21(19-23)25(24-11-4-5-14-31-24)32-26(34)20-12-15-33(16-13-20)17-18-35-22-8-2-1-3-9-22;16-14(17)12-6-8-15(9-7-12)10-11-18-13-4-2-1-3-5-13;14-13(15,16)19-10-5-3-4-9(8-10)12(17)11-6-1-2-7-18-11;/h1-11,14,19-20,25H,12-13,15-18H2,(H,32,34);1-5,12H,6-11H2,(H,16,17);1-8,12H,17H2;1H4
InChIKeyJVSNTMXLTZJJNS-UHFFFAOYSA-N
MW1033.12 g/mol
LogP10.50
Rot. Bonds17

About methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine

methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 159038286) has the molecular formula C55H62F6N6O7 and a molecular weight of 1033.12 g/mol. Its IUPAC name is methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Namemethane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID159038286
Molecular FormulaC55H62F6N6O7
Molecular Weight1033.12 g/mol
Exact Mass1032.46
IUPAC Namemethane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
SMILESC.NC(c1cccc(OC(F)(F)F)c1)c1ccccn1.O=C(NC(c1cccc(OC(F)(F)F)c1)c1ccccn1)C1CCN(CCOc2ccccc2)CC1.O=C(O)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H28F3N3O3.C14H19NO3.C13H11F3N2O.CH4/c28-27(29,30)36-23-10-6-7-21(19-23)25(24-11-4-5-14-31-24)32-26(34)20-12-15-33(16-13-20)17-18-35-22-8-2-1-3-9-22;16-14(17)12-6-8-15(9-7-12)10-11-18-13-4-2-1-3-5-13;14-13(15,16)19-10-5-3-4-9(8-10)12(17)11-6-1-2-7-18-11;/h1-11,14,19-20,25H,12-13,15-18H2,(H,32,34);1-5,12H,6-11H2,(H,16,17);1-8,12H,17H2;1H4
InChIKeyJVSNTMXLTZJJNS-UHFFFAOYSA-N
XLogP10.50
TPSA161.60 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001033.12
LogP ≤ 510.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(benzyloxy)benzyl]-N-(2-pyridinylmethyl)-4-piperidinecarboxamide oxalate
CID 2903374
(2S)-3-[4-(2,3-dimethyl-4-pyridinyl)phenyl]-2-[[(3S,8S)-7-[(1S)-1-phenylpropyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]propanoic acid
CID 58327579
[2-methoxy-4-[(E)-3-[4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidin-1-yl]prop-1-enyl]phenyl] acetate
CID 46944179
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-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 49790321
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-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 49790427

Frequently Asked Questions

What is the IUPAC name of methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine (CID 159038286) is methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine is C.NC(c1cccc(OC(F)(F)F)c1)c1ccccn1.O=C(NC(c1cccc(OC(F)(F)F)c1)c1ccccn1)C1CCN(CCOc2ccccc2)CC1.O=C(O)C1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is JVSNTMXLTZJJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O3.C14H19NO3.C13H11F3N2O.CH4/c28-27(29,30)36-23-10-6-7-21(19-23)25(24-11-4-5-14-31-24)32-26(34)20-12-15-33(16-13-20)17-18-35-22-8-2-1-3-9-22;16-14(17)12-6-8-15(9-7-12)10-11-18-13-4-2-1-3-5-13;14-13(15,16)19-10-5-3-4-9(8-10)12(17)11-6-1-2-7-18-11;/h1-11,14,19-20,25H,12-13,15-18H2,(H,32,34);1-5,12H,6-11H2,(H,16,17);1-8,12H,17H2;1H4.
What are the key properties of methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 1033.12 g/mol, XLogP of 10.50, 17 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 159038286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).