N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride

C12H22ClN3O2 — CID 119943977

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC(=O)NC2CC2)CCCNC1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-12(5-2-6-13-8-12)11(17)14-7-10(16)15-9-3-4-9;/h9,13H,2-8H2,1H3,(H,14,17)(H,15,16);1H
InChIKeyYDKIYKWHHCZSLV-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.19
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride

N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119943977) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119943977
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC(=O)NC2CC2)CCCNC1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-12(5-2-6-13-8-12)11(17)14-7-10(16)15-9-3-4-9;/h9,13H,2-8H2,1H3,(H,14,17)(H,15,16);1H
InChIKeyYDKIYKWHHCZSLV-UHFFFAOYSA-N
XLogP0.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide
CID 63121384
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945451
3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 63130240
N-(3,3-dimethylcyclopentyl)-3-methylpiperidine-3-carboxamide
CID 115977020
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119692049
N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944165
4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525938
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide
CID 63130917
N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945393
(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369661
(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369662

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119943977) is N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride is CC1(C(=O)NCC(=O)NC2CC2)CCCNC1.Cl.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is YDKIYKWHHCZSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c1-12(5-2-6-13-8-12)11(17)14-7-10(16)15-9-3-4-9;/h9,13H,2-8H2,1H3,(H,14,17)(H,15,16);1H.
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119943977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).