2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide

C24H29ClN2O2 — CID 26402341

IUPAC2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1)c1ccccc1Cl
InChIInChI=1S/C24H29ClN2O2/c25-22-14-6-5-13-21(22)24(29)26-17-20-12-8-16-27(18-20)23(28)15-7-4-11-19-9-2-1-3-10-19/h1-3,5-6,9-10,13-14,20H,4,7-8,11-12,15-18H2,(H,26,29)/t20-/m0/s1
InChIKeyUICLCYWKHXOXMA-FQEVSTJZSA-N
MW412.96 g/mol
LogP4.72
Rot. Bonds8

About 2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide

2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide (PubChem CID 26402341) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
PubChem CID26402341
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1)c1ccccc1Cl
InChIInChI=1S/C24H29ClN2O2/c25-22-14-6-5-13-21(22)24(29)26-17-20-12-8-16-27(18-20)23(28)15-7-4-11-19-9-2-1-3-10-19/h1-3,5-6,9-10,13-14,20H,4,7-8,11-12,15-18H2,(H,26,29)/t20-/m0/s1
InChIKeyUICLCYWKHXOXMA-FQEVSTJZSA-N
XLogP4.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 45249030
2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide
CID 26398170
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26405742
2-chloro-N-[[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42594765
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241645
6-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 153068459
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42558040

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide (CID 26402341) is 2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide is O=C(NC[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is UICLCYWKHXOXMA-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c25-22-14-6-5-13-21(22)24(29)26-17-20-12-8-16-27(18-20)23(28)15-7-4-11-19-9-2-1-3-10-19/h1-3,5-6,9-10,13-14,20H,4,7-8,11-12,15-18H2,(H,26,29)/t20-/m0/s1.
What are the key properties of 2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide?
2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 412.96 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 26402341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).