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

C27H35N3O2 — CID 1063832

IUPACN-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C27H35N3O2/c1-2-26(31)28-23-11-12-25(24(20-23)27(32)30-15-7-4-8-16-30)29-17-13-22(14-18-29)19-21-9-5-3-6-10-21/h3,5-6,9-12,20,22H,2,4,7-8,13-19H2,1H3,(H,28,31)
InChIKeyNMUAQSBJVSGLCY-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.12
Rot. Bonds6

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

N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide (PubChem CID 1063832) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide
PubChem CID1063832
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C27H35N3O2/c1-2-26(31)28-23-11-12-25(24(20-23)27(32)30-15-7-4-8-16-30)29-17-13-22(14-18-29)19-21-9-5-3-6-10-21/h3,5-6,9-12,20,22H,2,4,7-8,13-19H2,1H3,(H,28,31)
InChIKeyNMUAQSBJVSGLCY-UHFFFAOYSA-N
XLogP5.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.12
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]-2-phenylacetamide
CID 42751196
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1054019
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-chloroacetamide
CID 1054008
N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-4-pentylbenzamide
CID 4014189
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
3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
CID 1059306
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
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
CID 3879106
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
CID 4261431

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide (CID 1063832) is N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide is CCC(=O)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]propanamide?
The InChIKey is NMUAQSBJVSGLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-2-26(31)28-23-11-12-25(24(20-23)27(32)30-15-7-4-8-16-30)29-17-13-22(14-18-29)19-21-9-5-3-6-10-21/h3,5-6,9-12,20,22H,2,4,7-8,13-19H2,1H3,(H,28,31).
What are the key properties of N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide?
N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 433.60 g/mol, XLogP of 5.12, 6 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]propanamide is sourced from PubChem (CID 1063832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).