1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide

C18H25BrN2O — CID 120553584

IUPAC1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C18H25BrN2O/c1-13-12-20-11-8-16(13)21-17(22)18(9-2-3-10-18)14-4-6-15(19)7-5-14/h4-7,13,16,20H,2-3,8-12H2,1H3,(H,21,22)
InChIKeyHQGHSIMMLKUNEK-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.38
Rot. Bonds3

About 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide

1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide (PubChem CID 120553584) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
PubChem CID120553584
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C18H25BrN2O/c1-13-12-20-11-8-16(13)21-17(22)18(9-2-3-10-18)14-4-6-15(19)7-5-14/h4-7,13,16,20H,2-3,8-12H2,1H3,(H,21,22)
InChIKeyHQGHSIMMLKUNEK-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120553583
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120557919
1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120556663
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297
1-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 120555475
1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120555393
1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120556704
N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120554712
1-methyl-N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 120557540
acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 154908138

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide (CID 120553584) is 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide is CC1CNCCC1NC(=O)C1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide?
The InChIKey is HQGHSIMMLKUNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O/c1-13-12-20-11-8-16(13)21-17(22)18(9-2-3-10-18)14-4-6-15(19)7-5-14/h4-7,13,16,20H,2-3,8-12H2,1H3,(H,21,22).
What are the key properties of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide?
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 120553584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).