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

C22H25ClN2O — CID 8590280

IUPAC(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H25ClN2O/c1-17-3-2-4-18(15-17)7-10-22(26)24-21-11-13-25(14-12-21)16-19-5-8-20(23)9-6-19/h2-10,15,21H,11-14,16H2,1H3,(H,24,26)/b10-7+
InChIKeyGLQUTFNYGDDBCZ-JXMROGBWSA-N
MW368.91 g/mol
LogP4.44
Rot. Bonds5

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

(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide (PubChem CID 8590280) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is (E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide
PubChem CID8590280
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H25ClN2O/c1-17-3-2-4-18(15-17)7-10-22(26)24-21-11-13-25(14-12-21)16-19-5-8-20(23)9-6-19/h2-10,15,21H,11-14,16H2,1H3,(H,24,26)/b10-7+
InChIKeyGLQUTFNYGDDBCZ-JXMROGBWSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.44
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-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-fluorophenyl)prop-2-enamide
CID 8590045
(E)-3-(3-cyanophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]prop-2-enamide
CID 51123723
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]prop-2-enamide
CID 94717552
N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide
CID 18121033
4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 17476363
(E)-3-(3,4-dichlorophenyl)-N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 9264869
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542176
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide (CID 8590280) is (E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide is Cc1cccc(/C=C/C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of (E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is GLQUTFNYGDDBCZ-JXMROGBWSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-17-3-2-4-18(15-17)7-10-22(26)24-21-11-13-25(14-12-21)16-19-5-8-20(23)9-6-19/h2-10,15,21H,11-14,16H2,1H3,(H,24,26)/b10-7+.
What are the key properties of (E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide?
(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 368.91 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 8590280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).