N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

C24H36N4O — CID 113104871

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C24H36N4O/c29-24(25-14-13-21-7-3-1-4-8-21)28-19-17-27(18-20-28)23-11-9-22(10-12-23)26-15-5-2-6-16-26/h7,9-12H,1-6,8,13-20H2,(H,25,29)
InChIKeyUHZFOVIBXMQYDL-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.40
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 113104871) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
PubChem CID113104871
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C24H36N4O/c29-24(25-14-13-21-7-3-1-4-8-21)28-19-17-27(18-20-28)23-11-9-22(10-12-23)26-15-5-2-6-16-26/h7,9-12H,1-6,8,13-20H2,(H,25,29)
InChIKeyUHZFOVIBXMQYDL-UHFFFAOYSA-N
XLogP4.40
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108984156
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972635
2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 107856024
N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide
CID 113103397
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183656
N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113104896
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113104852
3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109014944
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104853

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (CID 113104871) is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is O=C(NCCC1=CCCCC1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is UHZFOVIBXMQYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c29-24(25-14-13-21-7-3-1-4-8-21)28-19-17-27(18-20-28)23-11-9-22(10-12-23)26-15-5-2-6-16-26/h7,9-12H,1-6,8,13-20H2,(H,25,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).