(3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide

C15H19N3O3 — CID 126452602

IUPAC(3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCC[C@@H](C#N)C2)ccc1O
InChIInChI=1S/C15H19N3O3/c1-21-14-7-11(4-5-13(14)19)9-17-15(20)18-6-2-3-12(8-16)10-18/h4-5,7,12,19H,2-3,6,9-10H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyHOVUFTCBLIMVNE-LBPRGKRZSA-N
MW289.33 g/mol
LogP1.85
Rot. Bonds3

About (3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide

(3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 126452602) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID126452602
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCC[C@@H](C#N)C2)ccc1O
InChIInChI=1S/C15H19N3O3/c1-21-14-7-11(4-5-13(14)19)9-17-15(20)18-6-2-3-12(8-16)10-18/h4-5,7,12,19H,2-3,6,9-10H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyHOVUFTCBLIMVNE-LBPRGKRZSA-N
XLogP1.85
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421
(3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide
CID 126445546
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 110922318
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
CID 95329456
tert-butyl N-[1-[(3,4-dimethoxyphenyl)methylcarbamoyl]piperidin-3-yl]carbamate
CID 55911105
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 79155782
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268321
(3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 126442687

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 126452602) is (3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1cc(CNC(=O)N2CCC[C@@H](C#N)C2)ccc1O.
What is the InChIKey of (3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is HOVUFTCBLIMVNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-14-7-11(4-5-13(14)19)9-17-15(20)18-6-2-3-12(8-16)10-18/h4-5,7,12,19H,2-3,6,9-10H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide?
(3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126452602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).