1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide

C17H21ClN2O3 — CID 56819172

IUPAC1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C17H21ClN2O3/c1-11-3-4-13(17(19)22)10-20(11)16(21)8-5-12-9-14(18)6-7-15(12)23-2/h5-9,11,13H,3-4,10H2,1-2H3,(H2,19,22)/b8-5+
InChIKeyIPEMLKLTSDXZQX-VMPITWQZSA-N
MW336.82 g/mol
LogP2.47
Rot. Bonds4

About 1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide

1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide (PubChem CID 56819172) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
PubChem CID56819172
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C17H21ClN2O3/c1-11-3-4-13(17(19)22)10-20(11)16(21)8-5-12-9-14(18)6-7-15(12)23-2/h5-9,11,13H,3-4,10H2,1-2H3,(H2,19,22)/b8-5+
InChIKeyIPEMLKLTSDXZQX-VMPITWQZSA-N
XLogP2.47
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.47
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

(3S,6R)-1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 94636248
(3R,6R)-1-[(Z)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 100841603
(3R,6R)-6-methyl-1-[(Z)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]piperidine-3-carboxamide
CID 100849386
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 115343364
(E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 60528635
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl chloride
CID 19317726
(3S,6R)-1-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 95581613
1-[1-[3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]azetidin-3-yl]triazole-4-carboxamide
CID 126766298
(3R,6R)-1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 95146129
3-(5-chloro-2-methoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)prop-2-en-1-one
CID 55875127
(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94472229
(3S,6R)-1-[(Z)-3-(4-cyanophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 94636235

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide (CID 56819172) is 1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide is COc1ccc(Cl)cc1/C=C/C(=O)N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is IPEMLKLTSDXZQX-VMPITWQZSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-11-3-4-13(17(19)22)10-20(11)16(21)8-5-12-9-14(18)6-7-15(12)23-2/h5-9,11,13H,3-4,10H2,1-2H3,(H2,19,22)/b8-5+.
What are the key properties of 1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide?
1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 56819172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).