1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide

C25H30ClN3O2 — CID 72694238

IUPAC1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccccc1
InChIInChI=1S/C25H30ClN3O2/c26-23-11-10-22(28-24(30)18-6-2-1-3-7-18)16-20(23)17-29-14-12-19(13-15-29)25(31)27-21-8-4-5-9-21/h1-3,6-7,10-11,16,19,21H,4-5,8-9,12-15,17H2,(H,27,31)(H,28,30)
InChIKeyKEWMZDGJLUQISJ-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.86
Rot. Bonds6

About 1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide

1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 72694238) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide
PubChem CID72694238
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccccc1
InChIInChI=1S/C25H30ClN3O2/c26-23-11-10-22(28-24(30)18-6-2-1-3-7-18)16-20(23)17-29-14-12-19(13-15-29)25(31)27-21-8-4-5-9-21/h1-3,6-7,10-11,16,19,21H,4-5,8-9,12-15,17H2,(H,27,31)(H,28,30)
InChIKeyKEWMZDGJLUQISJ-UHFFFAOYSA-N
XLogP4.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide (CID 72694238) is 1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide is O=C(Nc1ccc(Cl)c(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccccc1.
What is the InChIKey of 1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is KEWMZDGJLUQISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c26-23-11-10-22(28-24(30)18-6-2-1-3-7-18)16-20(23)17-29-14-12-19(13-15-29)25(31)27-21-8-4-5-9-21/h1-3,6-7,10-11,16,19,21H,4-5,8-9,12-15,17H2,(H,27,31)(H,28,30).
What are the key properties of 1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide?
1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 439.99 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 72694238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).