N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide

C25H30N2O2 — CID 51323600

IUPACN-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H30N2O2/c1-20(2)27(19-22-11-7-4-8-12-22)25(29)23-15-17-26(18-16-23)24(28)14-13-21-9-5-3-6-10-21/h3-14,20,23H,15-19H2,1-2H3/b14-13+
InChIKeyIWLGLCPANKJQOE-BUHFOSPRSA-N
MW390.53 g/mol
LogP4.38
Rot. Bonds6

About N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide

N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 51323600) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID51323600
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H30N2O2/c1-20(2)27(19-22-11-7-4-8-12-22)25(29)23-15-17-26(18-16-23)24(28)14-13-21-9-5-3-6-10-21/h3-14,20,23H,15-19H2,1-2H3/b14-13+
InChIKeyIWLGLCPANKJQOE-BUHFOSPRSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78878024
N-benzyl-N-methyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693660
N-methyl-N-(2-methylpropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 134058612
N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 113005476
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 24641378
N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 47026013
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 8967044
N-benzyl-N-propan-2-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224062
4-N-benzyl-1-N-cyclohexyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113005494
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 47090845

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 51323600) is N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is IWLGLCPANKJQOE-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-20(2)27(19-22-11-7-4-8-12-22)25(29)23-15-17-26(18-16-23)24(28)14-13-21-9-5-3-6-10-21/h3-14,20,23H,15-19H2,1-2H3/b14-13+.
What are the key properties of N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide?
N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 51323600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).