N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide

C31H35N3O2 — CID 11431614

IUPACN,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C31H35N3O2/c1-3-34(4-2)31(36)26-16-14-24(15-17-26)30(25-18-20-32-21-19-25)27-12-8-9-13-28(27)33-29(35)22-23-10-6-5-7-11-23/h5-17,32H,3-4,18-22H2,1-2H3,(H,33,35)
InChIKeyPKZSXOINZQAWED-UHFFFAOYSA-N
MW481.64 g/mol
LogP5.54
Rot. Bonds8

About N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide

N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide (PubChem CID 11431614) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide
PubChem CID11431614
Molecular FormulaC31H35N3O2
Molecular Weight481.64 g/mol
Exact Mass481.27
IUPAC NameN,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C31H35N3O2/c1-3-34(4-2)31(36)26-16-14-24(15-17-26)30(25-18-20-32-21-19-25)27-12-8-9-13-28(27)33-29(35)22-23-10-6-5-7-11-23/h5-17,32H,3-4,18-22H2,1-2H3,(H,33,35)
InChIKeyPKZSXOINZQAWED-UHFFFAOYSA-N
XLogP5.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide (CID 11431614) is N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide?
The InChIKey is PKZSXOINZQAWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c1-3-34(4-2)31(36)26-16-14-24(15-17-26)30(25-18-20-32-21-19-25)27-12-8-9-13-28(27)33-29(35)22-23-10-6-5-7-11-23/h5-17,32H,3-4,18-22H2,1-2H3,(H,33,35).
What are the key properties of N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide?
N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide has a molecular weight of 481.64 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide is sourced from PubChem (CID 11431614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).