N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride

C13H25ClN2O — CID 119945393

IUPACN-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCCC1(CNC(=O)C2(C)CCCNC2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-3-13(6-7-13)10-15-11(16)12(2)5-4-8-14-9-12;/h14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyAXRJEWKAXHHIGU-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.10
Rot. Bonds4

About N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride

N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119945393) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119945393
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCCC1(CNC(=O)C2(C)CCCNC2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-3-13(6-7-13)10-15-11(16)12(2)5-4-8-14-9-12;/h14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyAXRJEWKAXHHIGU-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-3-methylpiperidine-3-carboxamide
CID 103822069
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylpiperidine-3-carboxamide
CID 65119149
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945451
N-(2-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 102694942
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119945555
3-methylpiperidine-3-carbohydrazide
CID 63991806
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943977
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946772

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119945393) is N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride is CCC1(CNC(=O)C2(C)CCCNC2)CC1.Cl.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is AXRJEWKAXHHIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-3-13(6-7-13)10-15-11(16)12(2)5-4-8-14-9-12;/h14H,3-10H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119945393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).