1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide

C15H16Cl2N2O2 — CID 18159123

IUPAC1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H16Cl2N2O2/c16-12-5-3-10(8-13(12)17)4-6-14(20)19-7-1-2-11(9-19)15(18)21/h3-6,8,11H,1-2,7,9H2,(H2,18,21)/b6-4+
InChIKeyMSINZUTVONJUJB-GQCTYLIASA-N
MW327.21 g/mol
LogP2.73
Rot. Bonds3

About 1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide

1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide (PubChem CID 18159123) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide
PubChem CID18159123
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H16Cl2N2O2/c16-12-5-3-10(8-13(12)17)4-6-14(20)19-7-1-2-11(9-19)15(18)21/h3-6,8,11H,1-2,7,9H2,(H2,18,21)/b6-4+
InChIKeyMSINZUTVONJUJB-GQCTYLIASA-N
XLogP2.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.73
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

(3S)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]pyrrolidine-3-carboxamide
CID 95139544
(3S)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 78925353
3-(3,4-dichlorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 79030105
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
3-(3,4-dichlorophenyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 79410291
(3S)-1-[(Z)-3-(2-chlorophenyl)but-2-enoyl]piperidine-3-carboxamide
CID 95298160
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
(E)-3-(3,4-dichlorophenyl)-1-(2,6-dimethylpiperidin-1-yl)prop-2-en-1-one
CID 6016233
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 43092074
(2S)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 92928090
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 9018611
(E)-1-[(3R)-3-aminopiperidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 102978536

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide (CID 18159123) is 1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide?
The InChIKey is MSINZUTVONJUJB-GQCTYLIASA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c16-12-5-3-10(8-13(12)17)4-6-14(20)19-7-1-2-11(9-19)15(18)21/h3-6,8,11H,1-2,7,9H2,(H2,18,21)/b6-4+.
What are the key properties of 1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide?
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide has a molecular weight of 327.21 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide is sourced from PubChem (CID 18159123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).