(3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide

C16H20N4O2 — CID 97280110

IUPAC(3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide
SMILESCc1cc2c(NC(=O)N3CCC[C@@H](CO)C3)cccc2nn1
InChIInChI=1S/C16H20N4O2/c1-11-8-13-14(5-2-6-15(13)19-18-11)17-16(22)20-7-3-4-12(9-20)10-21/h2,5-6,8,12,21H,3-4,7,9-10H2,1H3,(H,17,22)/t12-/m1/s1
InChIKeyHAPUTWLRMCKLJN-GFCCVEGCSA-N
MW300.36 g/mol
LogP2.17
Rot. Bonds2

About (3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide

(3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide (PubChem CID 97280110) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide
PubChem CID97280110
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide
SMILESCc1cc2c(NC(=O)N3CCC[C@@H](CO)C3)cccc2nn1
InChIInChI=1S/C16H20N4O2/c1-11-8-13-14(5-2-6-15(13)19-18-11)17-16(22)20-7-3-4-12(9-20)10-21/h2,5-6,8,12,21H,3-4,7,9-10H2,1H3,(H,17,22)/t12-/m1/s1
InChIKeyHAPUTWLRMCKLJN-GFCCVEGCSA-N
XLogP2.17
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
(2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 125155904
4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide
CID 117073521
N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71875026
(3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96504613
N-[2-(cyclopropylmethoxy)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111453701
N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110892772
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 99715459
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-methylcinnolin-5-yl)urea
CID 118782413
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide (CID 97280110) is (3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide is Cc1cc2c(NC(=O)N3CCC[C@@H](CO)C3)cccc2nn1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide?
The InChIKey is HAPUTWLRMCKLJN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-8-13-14(5-2-6-15(13)19-18-11)17-16(22)20-7-3-4-12(9-20)10-21/h2,5-6,8,12,21H,3-4,7,9-10H2,1H3,(H,17,22)/t12-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide?
(3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97280110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).