N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride

C19H29ClN2O — CID 120600612

IUPACN-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C2CC2c2ccc(C(C)C)cc2)CCN1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-12(2)14-4-6-15(7-5-14)17-11-18(17)19(22)21-16-8-9-20-13(3)10-16;/h4-7,12-13,16-18,20H,8-11H2,1-3H3,(H,21,22);1H
InChIKeyGKJYREOLJKVVGG-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.59
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride

N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120600612) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID120600612
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C2CC2c2ccc(C(C)C)cc2)CCN1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-12(2)14-4-6-15(7-5-14)17-11-18(17)19(22)21-16-8-9-20-13(3)10-16;/h4-7,12-13,16-18,20H,8-11H2,1-3H3,(H,21,22);1H
InChIKeyGKJYREOLJKVVGG-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474817
2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120600418
2-(2,3-dichlorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120599119
N-(2-methylpiperidin-4-yl)-2-naphthalen-2-ylpropanamide;hydrochloride
CID 120600973
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119533821
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119572585
N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119495241
3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide
CID 106995320
2-methyl-N-(2-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 106995532

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 120600612) is N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride is CC1CC(NC(=O)C2CC2c2ccc(C(C)C)cc2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is GKJYREOLJKVVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-12(2)14-4-6-15(7-5-14)17-11-18(17)19(22)21-16-8-9-20-13(3)10-16;/h4-7,12-13,16-18,20H,8-11H2,1-3H3,(H,21,22);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120600612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).