3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide

C21H21ClN2O2 — CID 108559869

IUPAC3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN2O2/c22-18-8-4-7-17(15-18)21(26)23-19-11-13-24(14-12-19)20(25)10-9-16-5-2-1-3-6-16/h1-10,15,19H,11-14H2,(H,23,26)/b10-9+
InChIKeyGYKRGIFOSAAISG-MDZDMXLPSA-N
MW368.86 g/mol
LogP3.77
Rot. Bonds4

About 3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide

3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide (PubChem CID 108559869) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide
PubChem CID108559869
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN2O2/c22-18-8-4-7-17(15-18)21(26)23-19-11-13-24(14-12-19)20(25)10-9-16-5-2-1-3-6-16/h1-10,15,19H,11-14H2,(H,23,26)/b10-9+
InChIKeyGYKRGIFOSAAISG-MDZDMXLPSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 33137658
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
N-[1-[(E)-3-[4-(methanesulfonamido)phenyl]prop-2-enoyl]piperidin-4-yl]benzamide
CID 30297359
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
N-[1-[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]piperidin-4-yl]benzamide
CID 33309407
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108550695
3-(3-chlorophenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 4220867
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-[1-[(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enoyl]piperidin-4-yl]benzamide
CID 46521100
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide (CID 108559869) is 3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide?
The InChIKey is GYKRGIFOSAAISG-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-18-8-4-7-17(15-18)21(26)23-19-11-13-24(14-12-19)20(25)10-9-16-5-2-1-3-6-16/h1-10,15,19H,11-14H2,(H,23,26)/b10-9+.
What are the key properties of 3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide?
3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide has a molecular weight of 368.86 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108559869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).