4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide

C24H28BrClN2O — CID 22266311

IUPAC4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
SMILESO=C(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C24H28BrClN2O/c25-20-8-6-19(7-9-20)24(29)27-22-2-1-3-23(22)28-14-12-18(13-15-28)16-17-4-10-21(26)11-5-17/h4-11,18,22-23H,1-3,12-16H2,(H,27,29)
InChIKeyCVKUDKXQWCXLGV-UHFFFAOYSA-N
MW475.86 g/mol
LogP5.71
Rot. Bonds5

About 4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide

4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide (PubChem CID 22266311) has the molecular formula C24H28BrClN2O and a molecular weight of 475.86 g/mol. Its IUPAC name is 4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
PubChem CID22266311
Molecular FormulaC24H28BrClN2O
Molecular Weight475.86 g/mol
Exact Mass474.11
IUPAC Name4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
SMILESO=C(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C24H28BrClN2O/c25-20-8-6-19(7-9-20)24(29)27-22-2-1-3-23(22)28-14-12-18(13-15-28)16-17-4-10-21(26)11-5-17/h4-11,18,22-23H,1-3,12-16H2,(H,27,29)
InChIKeyCVKUDKXQWCXLGV-UHFFFAOYSA-N
XLogP5.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.86
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 23587601
3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide
CID 142667565
2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 23587593
N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide
CID 22266432
1-(3-bromophenyl)-3-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]urea
CID 23587574
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea
CID 23587527
N-[(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclohexyl]-4-methylsulfonylbenzamide;cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclohexan-1-amine;4-methylsulfonylbenzoic acid;hydrochloride
CID 159124964
1-[(2-chlorophenyl)methyl]-3-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]urea
CID 22266289
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea
CID 141069770
4-bromo-N-[2-(2,5-dihydropyrrol-1-yl)cyclohexyl]benzamide
CID 23315542
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 23587523
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3-methylsulfonylphenyl)urea
CID 23587533

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide (CID 22266311) is 4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide is O=C(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide?
The InChIKey is CVKUDKXQWCXLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrClN2O/c25-20-8-6-19(7-9-20)24(29)27-22-2-1-3-23(22)28-14-12-18(13-15-28)16-17-4-10-21(26)11-5-17/h4-11,18,22-23H,1-3,12-16H2,(H,27,29).
What are the key properties of 4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide?
4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide has a molecular weight of 475.86 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide is sourced from PubChem (CID 22266311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).