N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride

C13H24ClN3O2 — CID 119724080

IUPACN-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
SMILESCNCC(=O)N1CCCC(C(=O)NCC2CC2)C1.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-14-8-12(17)16-6-2-3-11(9-16)13(18)15-7-10-4-5-10;/h10-11,14H,2-9H2,1H3,(H,15,18);1H
InChIKeyKMBSVFOVNIERSS-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.39
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride

N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119724080) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119724080
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC NameN-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
SMILESCNCC(=O)N1CCCC(C(=O)NCC2CC2)C1.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-14-8-12(17)16-6-2-3-11(9-16)13(18)15-7-10-4-5-10;/h10-11,14H,2-9H2,1H3,(H,15,18);1H
InChIKeyKMBSVFOVNIERSS-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide
CID 126829314
N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide
CID 111331904
N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide
CID 126804577
cis-(1R,3S)-3-[3-(cyclopropylmethylcarbamoyl)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065336
N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119289763
(3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 94202656
(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94182054
N-(cyclopropylmethyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 86993577
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 120831196

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride (CID 119724080) is N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride is CNCC(=O)N1CCCC(C(=O)NCC2CC2)C1.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is KMBSVFOVNIERSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c1-14-8-12(17)16-6-2-3-11(9-16)13(18)15-7-10-4-5-10;/h10-11,14H,2-9H2,1H3,(H,15,18);1H.
What are the key properties of N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride?
N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119724080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).