(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide

C21H27N3O2 — CID 92882182

IUPAC(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3ccncc3)C2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-20-7-5-17(6-8-20)14-23-21(25)18-4-3-13-24(15-18)19-9-11-22-12-10-19/h5-12,16,18H,3-4,13-15H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyNHSMSQXWRUAGPX-GOSISDBHSA-N
MW353.47 g/mol
LogP3.40
Rot. Bonds6

About (3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide

(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 92882182) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID92882182
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3ccncc3)C2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-20-7-5-17(6-8-20)14-23-21(25)18-4-3-13-24(15-18)19-9-11-22-12-10-19/h5-12,16,18H,3-4,13-15H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyNHSMSQXWRUAGPX-GOSISDBHSA-N
XLogP3.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
1-(4-methylpyrimidin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53102086
1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53203021
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46431901
(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882096
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290291
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 92745897
(3R)-1-(benzenesulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 100659745
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
(3S)-1-[(2-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94023964
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384662

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (CID 92882182) is (3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3ccncc3)C2)cc1.
What is the InChIKey of (3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is NHSMSQXWRUAGPX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)26-20-7-5-17(6-8-20)14-23-21(25)18-4-3-13-24(15-18)19-9-11-22-12-10-19/h5-12,16,18H,3-4,13-15H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92882182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).