1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide

C26H33ClN2O2 — CID 133188306

IUPAC1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
SMILESCC1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C26H33ClN2O2/c1-20-6-2-5-17-29(20)18-19-31-24-13-11-23(12-14-24)28-25(30)26(15-3-4-16-26)21-7-9-22(27)10-8-21/h7-14,20H,2-6,15-19H2,1H3,(H,28,30)
InChIKeyJXMHHAGBINIOIP-UHFFFAOYSA-N
MW441.02 g/mol
LogP6.04
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 133188306) has the molecular formula C26H33ClN2O2 and a molecular weight of 441.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
PubChem CID133188306
Molecular FormulaC26H33ClN2O2
Molecular Weight441.02 g/mol
Exact Mass440.22
IUPAC Name1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
SMILESCC1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C26H33ClN2O2/c1-20-6-2-5-17-29(20)18-19-31-24-13-11-23(12-14-24)28-25(30)26(15-3-4-16-26)21-7-9-22(27)10-8-21/h7-14,20H,2-6,15-19H2,1H3,(H,28,30)
InChIKeyJXMHHAGBINIOIP-UHFFFAOYSA-N
XLogP6.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.02
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide
CID 133187938
1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100665537
1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 100666816
1-(2-chlorophenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133188318
1-(2,4-dichlorophenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide
CID 133194312
1-(4-chlorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 100665731
1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100703803
4-(4-fluorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]oxane-4-carboxamide
CID 100683737
N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-4-phenyloxane-4-carboxamide
CID 100679341
4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide
CID 100682604
1-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100665527
1-methyl-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133245840

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide (CID 133188306) is 1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide is CC1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
The InChIKey is JXMHHAGBINIOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O2/c1-20-6-2-5-17-29(20)18-19-31-24-13-11-23(12-14-24)28-25(30)26(15-3-4-16-26)21-7-9-22(27)10-8-21/h7-14,20H,2-6,15-19H2,1H3,(H,28,30).
What are the key properties of 1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 441.02 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 133188306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).