1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide

C21H29BrN2O — CID 47083546

IUPAC1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCN(CC2CCCC2)CC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H29BrN2O/c22-18-7-5-17(6-8-18)21(11-12-21)20(25)23-19-9-13-24(14-10-19)15-16-3-1-2-4-16/h5-8,16,19H,1-4,9-15H2,(H,23,25)
InChIKeySVWKBHIITVDRNX-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.25
Rot. Bonds5

About 1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 47083546) has the molecular formula C21H29BrN2O and a molecular weight of 405.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID47083546
Molecular FormulaC21H29BrN2O
Molecular Weight405.38 g/mol
Exact Mass404.15
IUPAC Name1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCN(CC2CCCC2)CC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H29BrN2O/c22-18-7-5-17(6-8-18)21(11-12-21)20(25)23-19-9-13-24(14-10-19)15-16-3-1-2-4-16/h5-8,16,19H,1-4,9-15H2,(H,23,25)
InChIKeySVWKBHIITVDRNX-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dibromo-N-[1-(cyclooctylmethyl)piperidin-4-yl]-9-iodoxanthene-9-carboxamide
CID 70341930
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
4-(4-bromophenyl)-N-(oxan-4-yl)oxane-4-carboxamide
CID 169449681
1-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopropane-1-carboxamide
CID 103751443
1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119899073
N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide
CID 84595006
[1-(4-bromophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562680
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55566412
1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55745166
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 42047243

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide (CID 47083546) is 1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide is O=C(NC1CCN(CC2CCCC2)CC1)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is SVWKBHIITVDRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29BrN2O/c22-18-7-5-17(6-8-18)21(11-12-21)20(25)23-19-9-13-24(14-10-19)15-16-3-1-2-4-16/h5-8,16,19H,1-4,9-15H2,(H,23,25).
What are the key properties of 1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 47083546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).