(3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride

C9H19ClN2O — CID 122164489

IUPAC(3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)NC(=O)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7(2)11-9(12)8-4-3-5-10-6-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H/t8-;/m1./s1
InChIKeyGMUGZMLTCCPQHR-DDWIOCJRSA-N
MW206.72 g/mol
LogP0.93
Rot. Bonds2

About (3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride

(3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 122164489) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is (3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID122164489
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name(3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)NC(=O)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7(2)11-9(12)8-4-3-5-10-6-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H/t8-;/m1./s1
InChIKeyGMUGZMLTCCPQHR-DDWIOCJRSA-N
XLogP0.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Piperidinecarboxamide
CID 92980
N,N-Diethylpiperidine-3-carboxamide
CID 18793
3-Methylpiperidin-2-one
CID 107169
N~1~-propylpiperidine-1,3-dicarboxamide
CID 2952083
5-Methylpiperidin-2-one
CID 10877083
(Piperidin-3-yl)(pyrrolidin-1-yl)methanone
CID 2794682
(R)-piperidine-3-carboxamide
CID 854158
N-(2-(dimethylamino)ethyl)-2-oxopiperidine-3-carboxamide
CID 3623770
Ketone, piperidino 3-piperidyl
CID 218422
N-methyl-2-(piperidin-4-yl)acetamide
CID 20569899
2-Oxopiperidine-3-carboxamide
CID 3686578
(S)-3-Isobutylpiperazin-2-one
CID 11693939

Frequently Asked Questions

What is the IUPAC name of (3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride (CID 122164489) is (3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride is CC(C)NC(=O)[C@@H]1CCCNC1.Cl.
What is the InChIKey of (3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is GMUGZMLTCCPQHR-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-7(2)11-9(12)8-4-3-5-10-6-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H/t8-;/m1./s1.
What are the key properties of (3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride?
(3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 122164489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).