N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride

C13H25ClN2O — CID 119945451

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC2CC2(C)C)CCCNC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-12(2)7-10(12)8-15-11(16)13(3)5-4-6-14-9-13;/h10,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeySUJJSFPZGWLIMX-UHFFFAOYSA-N
MW260.81 g/mol
LogP1.96
Rot. Bonds3

About N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride

N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119945451) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119945451
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC2CC2(C)C)CCCNC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-12(2)7-10(12)8-15-11(16)13(3)5-4-6-14-9-13;/h10,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeySUJJSFPZGWLIMX-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525938
N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945393
3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119945555
N-[(2,2-dimethylcyclopropyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 103822228
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943977
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946772
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
N-(3-ethyl-2-hydroxypentyl)-3-methylpiperidine-3-carboxamide
CID 103822069
3-methylpiperidine-3-carbohydrazide
CID 63991806

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119945451) is N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride is CC1(C(=O)NCC2CC2(C)C)CCCNC1.Cl.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is SUJJSFPZGWLIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-12(2)7-10(12)8-15-11(16)13(3)5-4-6-14-9-13;/h10,14H,4-9H2,1-3H3,(H,15,16);1H.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119945451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).