1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C22H23N3O3 — CID 1041227

IUPAC1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O3/c23-20(26)17-11-13-25(14-12-17)22(28)19(15-16-7-3-1-4-8-16)24-21(27)18-9-5-2-6-10-18/h1-10,15,17H,11-14H2,(H2,23,26)(H,24,27)/b19-15-
InChIKeyRQLDFBPFLGBUTD-CYVLTUHYSA-N
MW377.44 g/mol
LogP2.18
Rot. Bonds5

About 1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide

1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 1041227) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID1041227
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O3/c23-20(26)17-11-13-25(14-12-17)22(28)19(15-16-7-3-1-4-8-16)24-21(27)18-9-5-2-6-10-18/h1-10,15,17H,11-14H2,(H2,23,26)(H,24,27)/b19-15-
InChIKeyRQLDFBPFLGBUTD-CYVLTUHYSA-N
XLogP2.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 1041227) is 1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is RQLDFBPFLGBUTD-CYVLTUHYSA-N. The full InChI is InChI=1S/C22H23N3O3/c23-20(26)17-11-13-25(14-12-17)22(28)19(15-16-7-3-1-4-8-16)24-21(27)18-9-5-2-6-10-18/h1-10,15,17H,11-14H2,(H2,23,26)(H,24,27)/b19-15-.
What are the key properties of 1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 1041227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).