1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide

C19H19ClN2O2S — CID 24612704

IUPAC1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1
InChIInChI=1S/C19H19ClN2O2S/c20-17-10-8-16(25-17)9-11-18(23)22-12-4-5-14(13-22)19(24)21-15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H,21,24)/b11-9+
InChIKeyXAOGZLMVIYODSK-PKNBQFBNSA-N
MW374.89 g/mol
LogP4.29
Rot. Bonds4

About 1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide

1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 24612704) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID24612704
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1
InChIInChI=1S/C19H19ClN2O2S/c20-17-10-8-16(25-17)9-11-18(23)22-12-4-5-14(13-22)19(24)21-15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H,21,24)/b11-9+
InChIKeyXAOGZLMVIYODSK-PKNBQFBNSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 43355906
1-(3-aminopiperidin-1-yl)-3-(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 126795116
1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
CID 42925478
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide
CID 26462653
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
1-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 25478855
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide (CID 24612704) is 1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1.
What is the InChIKey of 1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is XAOGZLMVIYODSK-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c20-17-10-8-16(25-17)9-11-18(23)22-12-4-5-14(13-22)19(24)21-15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H,21,24)/b11-9+.
What are the key properties of 1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide?
1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 374.89 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 24612704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).