N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide

C32H37N3O2 — CID 42751196

IUPACN-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C32H37N3O2/c36-31(23-26-12-6-2-7-13-26)33-28-14-15-30(29(24-28)32(37)35-18-8-3-9-19-35)34-20-16-27(17-21-34)22-25-10-4-1-5-11-25/h1-2,4-7,10-15,24,27H,3,8-9,16-23H2,(H,33,36)
InChIKeyBUTJSYHMHDCFJX-UHFFFAOYSA-N
MW495.67 g/mol
LogP5.95
Rot. Bonds7

About N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide

N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide (PubChem CID 42751196) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
PubChem CID42751196
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC NameN-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C32H37N3O2/c36-31(23-26-12-6-2-7-13-26)33-28-14-15-30(29(24-28)32(37)35-18-8-3-9-19-35)34-20-16-27(17-21-34)22-25-10-4-1-5-11-25/h1-2,4-7,10-15,24,27H,3,8-9,16-23H2,(H,33,36)
InChIKeyBUTJSYHMHDCFJX-UHFFFAOYSA-N
XLogP5.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 1063832
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-chloroacetamide
CID 1054008
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1054019
N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
1-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-fluorophenyl)urea
CID 1054391
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2,4-dichlorobenzamide
CID 3993970
N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-4-pentylbenzamide
CID 4014189
3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
CID 1059306
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
CID 4261431
N-[4-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidine-1-carbonyl)phenyl]-4-fluorobenzamide
CID 4209218
N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide
CID 1054058
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide (CID 42751196) is N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The InChIKey is BUTJSYHMHDCFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c36-31(23-26-12-6-2-7-13-26)33-28-14-15-30(29(24-28)32(37)35-18-8-3-9-19-35)34-20-16-27(17-21-34)22-25-10-4-1-5-11-25/h1-2,4-7,10-15,24,27H,3,8-9,16-23H2,(H,33,36).
What are the key properties of N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide?
N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide has a molecular weight of 495.67 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 42751196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).