(3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide

C20H19Cl2N3O2 — CID 51960641

IUPAC(3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C20H19Cl2N3O2/c21-16-7-8-17(22)14(12-16)6-9-19(26)25-11-3-4-15(13-25)20(27)24-18-5-1-2-10-23-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,23,24,27)/b9-6+/t15-/m1/s1
InChIKeyNWCRBCUNFSRHIA-RZIFZGNASA-N
MW404.30 g/mol
LogP4.28
Rot. Bonds4

About (3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 51960641) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is (3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID51960641
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name(3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C20H19Cl2N3O2/c21-16-7-8-17(22)14(12-16)6-9-19(26)25-11-3-4-15(13-25)20(27)24-18-5-1-2-10-23-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,23,24,27)/b9-6+/t15-/m1/s1
InChIKeyNWCRBCUNFSRHIA-RZIFZGNASA-N
XLogP4.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.28
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-[3-(2,5-dichlorophenyl)prop-2-enoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895665
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
3-(2-chlorophenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 171136723
(3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 97069270
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562
N-(6-methyl-2-pyridinyl)-1-[(E)-3-(2-nitrophenyl)prop-2-enoyl]piperidine-3-carboxamide
CID 55813978
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid
CID 167868580
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 2891510

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide (CID 51960641) is (3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of (3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is NWCRBCUNFSRHIA-RZIFZGNASA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c21-16-7-8-17(22)14(12-16)6-9-19(26)25-11-3-4-15(13-25)20(27)24-18-5-1-2-10-23-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,23,24,27)/b9-6+/t15-/m1/s1.
What are the key properties of (3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 404.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51960641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).