3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide

C17H23ClN2O — CID 79700874

IUPAC3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide
SMILESCCN(CC1CCNCC1)C(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O/c1-2-20(13-15-9-11-19-12-10-15)17(21)8-5-14-3-6-16(18)7-4-14/h3-8,15,19H,2,9-13H2,1H3
InChIKeyBNNQVTSQRKVCRU-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.20
Rot. Bonds5

About 3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide

3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide (PubChem CID 79700874) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide
PubChem CID79700874
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide
SMILESCCN(CC1CCNCC1)C(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O/c1-2-20(13-15-9-11-19-12-10-15)17(21)8-5-14-3-6-16(18)7-4-14/h3-8,15,19H,2,9-13H2,1H3
InChIKeyBNNQVTSQRKVCRU-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.20
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

N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79700451
N-ethyl-3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79720544
5-chloro-N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82883488
(E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide
CID 83969210
methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-ethylamino]acetate
CID 54979370
N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
CID 79721059
(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626270
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79698350
(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106627267
(E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 6272400
(Z)-3-(3-chloro-4-fluorophenyl)-N,N-diethylprop-2-enamide
CID 97305606

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide (CID 79700874) is 3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide is CCN(CC1CCNCC1)C(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide?
The InChIKey is BNNQVTSQRKVCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-2-20(13-15-9-11-19-12-10-15)17(21)8-5-14-3-6-16(18)7-4-14/h3-8,15,19H,2,9-13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide?
3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide has a molecular weight of 306.84 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 79700874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).