4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide

C22H25ClN2O2 — CID 39582079

IUPAC4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
SMILESO=C(NCCCC(=O)N1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O2/c23-20-10-8-19(9-11-20)22(27)24-14-4-7-21(26)25-15-12-18(13-16-25)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2,(H,24,27)
InChIKeyOGIXRHFMPACIIV-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.26
Rot. Bonds6

About 4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide

4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide (PubChem CID 39582079) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
PubChem CID39582079
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
SMILESO=C(NCCCC(=O)N1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O2/c23-20-10-8-19(9-11-20)22(27)24-14-4-7-21(26)25-15-12-18(13-16-25)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2,(H,24,27)
InChIKeyOGIXRHFMPACIIV-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide
CID 51318885
N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512458
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-4-chlorobenzamide;hydrochloride
CID 119411425
4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide
CID 48734491
N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide
CID 119663213
N-[4-oxo-4-[(4S)-4-phenylazepan-1-yl]butyl]cyclopropanecarboxamide
CID 95174990
N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide
CID 120816986
N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
CID 111561014
N-[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutyl]-4-chlorobenzamide
CID 120658394
4-chloro-N-[4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 25482268

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide?
The IUPAC name of 4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide (CID 39582079) is 4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide is O=C(NCCCC(=O)N1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide?
The InChIKey is OGIXRHFMPACIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-20-10-8-19(9-11-20)22(27)24-14-4-7-21(26)25-15-12-18(13-16-25)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2,(H,24,27).
What are the key properties of 4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide?
4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide has a molecular weight of 384.91 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide is sourced from PubChem (CID 39582079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).