N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide

C23H28ClN3O2 — CID 27673315

IUPACN-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O2/c24-20-10-8-19(9-11-20)23(29)25-14-4-7-22(28)26-21-12-15-27(16-13-21)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-17H2,(H,25,29)(H,26,28)
InChIKeyUOYAAILREIRBAR-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.63
Rot. Bonds8

About N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide

N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide (PubChem CID 27673315) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
PubChem CID27673315
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O2/c24-20-10-8-19(9-11-20)23(29)25-14-4-7-22(28)26-21-12-15-27(16-13-21)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-17H2,(H,25,29)(H,26,28)
InChIKeyUOYAAILREIRBAR-UHFFFAOYSA-N
XLogP3.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 24504193
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18156372
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
4-chloro-N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]benzamide
CID 38400279
N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide
CID 18121033
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide (CID 27673315) is N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide?
The InChIKey is UOYAAILREIRBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c24-20-10-8-19(9-11-20)23(29)25-14-4-7-22(28)26-21-12-15-27(16-13-21)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-17H2,(H,25,29)(H,26,28).
What are the key properties of N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide?
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide has a molecular weight of 413.95 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide is sourced from PubChem (CID 27673315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).