(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide

C20H20ClN3O2 — CID 108924939

IUPAC(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H20ClN3O2/c21-17-6-3-15(4-7-17)5-8-19(25)23-18-9-12-24(13-10-18)20(26)16-2-1-11-22-14-16/h1-8,11,14,18H,9-10,12-13H2,(H,23,25)/b8-5+
InChIKeyRSQONVAEDSIDPF-VMPITWQZSA-N
MW369.85 g/mol
LogP3.17
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide (PubChem CID 108924939) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
PubChem CID108924939
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H20ClN3O2/c21-17-6-3-15(4-7-17)5-8-19(25)23-18-9-12-24(13-10-18)20(26)16-2-1-11-22-14-16/h1-8,11,14,18H,9-10,12-13H2,(H,23,25)/b8-5+
InChIKeyRSQONVAEDSIDPF-VMPITWQZSA-N
XLogP3.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.17
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

(E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924924
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
(E)-3-(4-bromophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]prop-2-enamide
CID 108924833
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
1-[4-[(E)-2-(4-chlorophenyl)ethenyl]piperidin-1-yl]-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 59686413
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542176
3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 20610113
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821123
(E)-3-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46566592
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide (CID 108924939) is (E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)NC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is RSQONVAEDSIDPF-VMPITWQZSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-17-6-3-15(4-7-17)5-8-19(25)23-18-9-12-24(13-10-18)20(26)16-2-1-11-22-14-16/h1-8,11,14,18H,9-10,12-13H2,(H,23,25)/b8-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 369.85 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 108924939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).