(E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide

C18H24ClN3O2 — CID 97464288

IUPAC(E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide
SMILESCNC(=O)CN1CCC(NC(=O)/C=C(\C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H24ClN3O2/c1-13(15-5-3-4-6-16(15)19)11-17(23)21-14-7-9-22(10-8-14)12-18(24)20-2/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,24)(H,21,23)/b13-11+
InChIKeyRAPGKHWAZOUPCD-ACCUITESSA-N
MW349.86 g/mol
LogP2.07
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide

(E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide (PubChem CID 97464288) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide
PubChem CID97464288
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name(E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide
SMILESCNC(=O)CN1CCC(NC(=O)/C=C(\C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H24ClN3O2/c1-13(15-5-3-4-6-16(15)19)11-17(23)21-14-7-9-22(10-8-14)12-18(24)20-2/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,24)(H,21,23)/b13-11+
InChIKeyRAPGKHWAZOUPCD-ACCUITESSA-N
XLogP2.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119853476
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55411004
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167716
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide
CID 49324541
2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056666
(Z)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 51129462
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide (CID 97464288) is (E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide is CNC(=O)CN1CCC(NC(=O)/C=C(\C)c2ccccc2Cl)CC1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide?
The InChIKey is RAPGKHWAZOUPCD-ACCUITESSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-13(15-5-3-4-6-16(15)19)11-17(23)21-14-7-9-22(10-8-14)12-18(24)20-2/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,24)(H,21,23)/b13-11+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide?
(E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide has a molecular weight of 349.86 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-2-enamide is sourced from PubChem (CID 97464288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).