(2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride

C12H23ClN2O — CID 119785410

IUPAC(2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCC1(C)CC1CNC(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-12(2)7-9(12)8-14-11(15)10-5-3-4-6-13-10;/h9-10,13H,3-8H2,1-2H3,(H,14,15);1H/t9?,10-;/m0./s1
InChIKeyILNDCQRBLDICHB-FTCYEJDNSA-N
MW246.78 g/mol
LogP1.71
Rot. Bonds3

About (2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119785410) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is (2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119785410
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name(2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCC1(C)CC1CNC(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-12(2)7-9(12)8-14-11(15)10-5-3-4-6-13-10;/h9-10,13H,3-8H2,1-2H3,(H,14,15);1H/t9?,10-;/m0./s1
InChIKeyILNDCQRBLDICHB-FTCYEJDNSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide
CID 104954794
(2R)-N-[(2,2-dimethylcyclopropyl)methyl]azetidine-2-carboxamide
CID 130710779
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-[(2,2-dimethylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119785395
(2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 79362349
(2S)-N-[(2-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 103809808
N-[(2,2-dimethylcyclopropyl)methyl]morpholine-3-carboxamide
CID 103811312
(2S)-N-(2,2-dimethylcyclopropyl)piperidine-2-carboxamide
CID 104913794
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
(2R)-N-[(2-methylcyclopentyl)methyl]piperidine-2-carboxamide
CID 107418450
(2R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119689244
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride (CID 119785410) is (2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride is CC1(C)CC1CNC(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is ILNDCQRBLDICHB-FTCYEJDNSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-12(2)7-9(12)8-14-11(15)10-5-3-4-6-13-10;/h9-10,13H,3-8H2,1-2H3,(H,14,15);1H/t9?,10-;/m0./s1.
What are the key properties of (2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119785410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).