3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide

C22H33N3O — CID 109014944

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESO=C(CCNCCC1=CCCCC1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H33N3O/c26-22(14-16-23-15-13-19-7-3-1-4-8-19)24-20-9-11-21(12-10-20)25-17-5-2-6-18-25/h7,9-12,23H,1-6,8,13-18H2,(H,24,26)
InChIKeyGQGOEEYQYBOGBO-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.49
Rot. Bonds8

About 3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide

3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 109014944) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID109014944
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESO=C(CCNCCC1=CCCCC1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H33N3O/c26-22(14-16-23-15-13-19-7-3-1-4-8-19)24-20-9-11-21(12-10-20)25-17-5-2-6-18-25/h7,9-12,23H,1-6,8,13-18H2,(H,24,26)
InChIKeyGQGOEEYQYBOGBO-UHFFFAOYSA-N
XLogP4.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972635
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109012504
3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
CID 109014890
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592880
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
CID 17462050
3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide
CID 109014919
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108984207
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide (CID 109014944) is 3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide is O=C(CCNCCC1=CCCCC1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is GQGOEEYQYBOGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c26-22(14-16-23-15-13-19-7-3-1-4-8-19)24-20-9-11-21(12-10-20)25-17-5-2-6-18-25/h7,9-12,23H,1-6,8,13-18H2,(H,24,26).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide?
3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 355.53 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109014944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).