N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride

C18H27ClN2O — CID 120577312

IUPACN-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1(c2ccccc2)CCCC1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-14-16(10-7-13-19-14)20-17(21)18(11-5-6-12-18)15-8-3-2-4-9-15;/h2-4,8-9,14,16,19H,5-7,10-13H2,1H3,(H,20,21);1H
InChIKeyKHYSEUXNFTUHRZ-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.18
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride

N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 120577312) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
PubChem CID120577312
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1(c2ccccc2)CCCC1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-14-16(10-7-13-19-14)20-17(21)18(11-5-6-12-18)15-8-3-2-4-9-15;/h2-4,8-9,14,16,19H,5-7,10-13H2,1H3,(H,20,21);1H
InChIKeyKHYSEUXNFTUHRZ-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 120573779
1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120575377
4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide;hydrochloride
CID 120576460
N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120573485
4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120576461
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813061
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297
1-phenyl-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
CID 104645396
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 76978536

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride (CID 120577312) is N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride is CC1NCCCC1NC(=O)C1(c2ccccc2)CCCC1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is KHYSEUXNFTUHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-14-16(10-7-13-19-14)20-17(21)18(11-5-6-12-18)15-8-3-2-4-9-15;/h2-4,8-9,14,16,19H,5-7,10-13H2,1H3,(H,20,21);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120577312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).