(2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide

C19H25ClN2O2 — CID 143538356

IUPAC(2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide
SMILESC/C=C(\CCCC)[C@H]1NC(=O)CCC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H25ClN2O2/c1-3-5-7-13(4-2)18-16(10-11-17(23)22-18)19(24)21-15-9-6-8-14(20)12-15/h4,6,8-9,12,16,18H,3,5,7,10-11H2,1-2H3,(H,21,24)(H,22,23)/b13-4+/t16?,18-/m1/s1
InChIKeyVGMZFEFDPHVNAD-BCIHFDEHSA-N
MW348.87 g/mol
LogP4.31
Rot. Bonds6

About (2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide

(2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide (PubChem CID 143538356) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide
PubChem CID143538356
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide
SMILESC/C=C(\CCCC)[C@H]1NC(=O)CCC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H25ClN2O2/c1-3-5-7-13(4-2)18-16(10-11-17(23)22-18)19(24)21-15-9-6-8-14(20)12-15/h4,6,8-9,12,16,18H,3,5,7,10-11H2,1-2H3,(H,21,24)(H,22,23)/b13-4+/t16?,18-/m1/s1
InChIKeyVGMZFEFDPHVNAD-BCIHFDEHSA-N
XLogP4.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-methylbenzene;(2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide
CID 143538355
chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 143538627
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
(3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide
CID 163686162
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide
CID 110696803
1-(3-chlorophenyl)-3-(heptanoylamino)urea
CID 5162671
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
(6S)-3-butyl-2-butylimino-N-(3-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 7320678
N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 143538535
1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131711

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide (CID 143538356) is (2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide is C/C=C(\CCCC)[C@H]1NC(=O)CCC1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide?
The InChIKey is VGMZFEFDPHVNAD-BCIHFDEHSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-3-5-7-13(4-2)18-16(10-11-17(23)22-18)19(24)21-15-9-6-8-14(20)12-15/h4,6,8-9,12,16,18H,3,5,7,10-11H2,1-2H3,(H,21,24)(H,22,23)/b13-4+/t16?,18-/m1/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide?
(2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide has a molecular weight of 348.87 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 143538356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).