N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C20H21ClF3N3O2 — CID 46643597

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C20H21ClF3N3O2/c21-16-4-1-14(2-5-16)12-27-9-7-17(8-10-27)26-19(28)15-3-6-18(25-11-15)29-13-20(22,23)24/h1-6,11,17H,7-10,12-13H2,(H,26,28)
InChIKeyHGUCXWDEWDFZBV-UHFFFAOYSA-N
MW427.85 g/mol
LogP4.07
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 46643597) has the molecular formula C20H21ClF3N3O2 and a molecular weight of 427.85 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID46643597
Molecular FormulaC20H21ClF3N3O2
Molecular Weight427.85 g/mol
Exact Mass427.13
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C20H21ClF3N3O2/c21-16-4-1-14(2-5-16)12-27-9-7-17(8-10-27)26-19(28)15-3-6-18(25-11-15)29-13-20(22,23)24/h1-6,11,17H,7-10,12-13H2,(H,26,28)
InChIKeyHGUCXWDEWDFZBV-UHFFFAOYSA-N
XLogP4.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 25474035
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337
4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229368
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-[3-(cyclopropylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 41405689
2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 78904741
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 8590020
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
2-methyl-4-[[4-[[6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carbonyl]amino]piperidin-1-yl]methyl]benzoic acid
CID 118250062
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 67169308
4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 47041270

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 46643597) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is HGUCXWDEWDFZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O2/c21-16-4-1-14(2-5-16)12-27-9-7-17(8-10-27)26-19(28)15-3-6-18(25-11-15)29-13-20(22,23)24/h1-6,11,17H,7-10,12-13H2,(H,26,28).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 427.85 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 46643597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).