(Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide

C23H38N2O3 — CID 71121730

IUPAC(Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide
SMILESCCCCCC(O)/C=C/[C@H]1CCCC(=O)N1C/C=C\CCCC(=O)NC1CC1
InChIInChI=1S/C23H38N2O3/c1-2-3-6-11-21(26)17-16-20-10-9-13-23(28)25(20)18-8-5-4-7-12-22(27)24-19-14-15-19/h5,8,16-17,19-21,26H,2-4,6-7,9-15,18H2,1H3,(H,24,27)/b8-5-,17-16+/t20-,21?/m1/s1
InChIKeyKWKNIUSKSBZNMM-MHENZWHTSA-N
MW390.57 g/mol
LogP3.87
Rot. Bonds13

About (Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide

(Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide (PubChem CID 71121730) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is (Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide.

Molecular Properties

Compound Name(Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide
PubChem CID71121730
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Name(Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide
SMILESCCCCCC(O)/C=C/[C@H]1CCCC(=O)N1C/C=C\CCCC(=O)NC1CC1
InChIInChI=1S/C23H38N2O3/c1-2-3-6-11-21(26)17-16-20-10-9-13-23(28)25(20)18-8-5-4-7-12-22(27)24-19-14-15-19/h5,8,16-17,19-21,26H,2-4,6-7,9-15,18H2,1H3,(H,24,27)/b8-5-,17-16+/t20-,21?/m1/s1
InChIKeyKWKNIUSKSBZNMM-MHENZWHTSA-N
XLogP3.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-[(3R)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]heptanoic acid
CID 91518834
7-[(2R)-2-(3-hydroxyoct-1-enyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 69020366
7-[(2R)-2-(3-hydroxy-4-propoxybut-1-enyl)-6-oxopiperidin-1-yl]hept-5-enoic acid
CID 162283320
methyl 7-[2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]heptanoate
CID 10316917
2-[4-[(2R)-2-(3-hydroxyoct-1-enyl)-5-oxopyrrolidin-1-yl]but-2-enoxy]acetic acid
CID 69355178
methyl 2,7-bis[2-(3-hydroxyoct-1-enyl)-6-oxopiperidin-1-yl]heptanoate
CID 69023632
methyl (Z)-7-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]hept-5-enoate
CID 69022656
7-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]hept-5-enoic acid;methyl 7-[(2R)-2-(3-hydroxy-4-phenylbut-1-enyl)-6-oxopiperidin-1-yl]hept-5-enoate
CID 161376194
7-[(2R)-2-[4-(2-fluorophenyl)-3-hydroxybut-1-enyl]-6-oxopiperidin-1-yl]hept-5-enoic acid
CID 162281733
(Z)-7-[(2R)-2-[(E)-3-hydroxy-4-(5-methoxyfuran-2-yl)but-1-enyl]-6-oxopiperidin-1-yl]hept-5-enoic acid
CID 71209732
2-[4-[(2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetic acid
CID 69355887
7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-2-methylheptanoic acid
CID 22770548

Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide?
The IUPAC name of (Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide (CID 71121730) is (Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide.
What is the SMILES notation for (Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide?
The canonical SMILES for (Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide is CCCCCC(O)/C=C/[C@H]1CCCC(=O)N1C/C=C\CCCC(=O)NC1CC1.
What is the InChIKey of (Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide?
The InChIKey is KWKNIUSKSBZNMM-MHENZWHTSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-2-3-6-11-21(26)17-16-20-10-9-13-23(28)25(20)18-8-5-4-7-12-22(27)24-19-14-15-19/h5,8,16-17,19-21,26H,2-4,6-7,9-15,18H2,1H3,(H,24,27)/b8-5-,17-16+/t20-,21?/m1/s1.
What are the key properties of (Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide?
(Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide has a molecular weight of 390.57 g/mol, XLogP of 3.87, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclopropyl-7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enamide is sourced from PubChem (CID 71121730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).