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

C16H21ClN2O — CID 106627267

IUPAC(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
SMILESCN(CC1CCCCN1)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O/c1-19(12-15-4-2-3-11-18-15)16(20)10-7-13-5-8-14(17)9-6-13/h5-10,15,18H,2-4,11-12H2,1H3/b10-7+
InChIKeyQZQJBFNETVZKJS-JXMROGBWSA-N
MW292.81 g/mol
LogP2.95
Rot. Bonds4

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

(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide (PubChem CID 106627267) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
PubChem CID106627267
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
SMILESCN(CC1CCCCN1)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O/c1-19(12-15-4-2-3-11-18-15)16(20)10-7-13-5-8-14(17)9-6-13/h5-10,15,18H,2-4,11-12H2,1H3/b10-7+
InChIKeyQZQJBFNETVZKJS-JXMROGBWSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.95
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

(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626270
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
(E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106607941
3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 76946339
(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609856
2-(4-chlorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626635
(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79700874
5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106627540
(E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide
CID 106607958
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide (CID 106627267) is (E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide is CN(CC1CCCCN1)C(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide?
The InChIKey is QZQJBFNETVZKJS-JXMROGBWSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-19(12-15-4-2-3-11-18-15)16(20)10-7-13-5-8-14(17)9-6-13/h5-10,15,18H,2-4,11-12H2,1H3/b10-7+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide has a molecular weight of 292.81 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 106627267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).