N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide

C20H29N3O — CID 60593302

IUPACN-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)NCC3CC=CCC3)CC2)c1
InChIInChI=1S/C20H29N3O/c1-17-6-5-9-19(14-17)16-22-10-12-23(13-11-22)20(24)21-15-18-7-3-2-4-8-18/h2-3,5-6,9,14,18H,4,7-8,10-13,15-16H2,1H3,(H,21,24)
InChIKeyAXIIMTBJKWNKTO-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.18
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 60593302) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID60593302
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)NCC3CC=CCC3)CC2)c1
InChIInChI=1S/C20H29N3O/c1-17-6-5-9-19(14-17)16-22-10-12-23(13-11-22)20(24)21-15-18-7-3-2-4-8-18/h2-3,5-6,9,14,18H,4,7-8,10-13,15-16H2,1H3,(H,21,24)
InChIKeyAXIIMTBJKWNKTO-UHFFFAOYSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-cyclohex-3-en-1-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 51970274
N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062661
N-[2-(4-chlorophenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106832
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 134006341
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(3-nitrophenyl)piperazine-1-carboxamide
CID 95267068
4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
CID 60569660
4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
N-(cyclohex-3-en-1-ylmethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 60593450
1-(cyclohex-3-en-1-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine;oxalic acid
CID 2879924
1-[(3-bromophenyl)methyl]-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 2879112

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide (CID 60593302) is N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide is Cc1cccc(CN2CCN(C(=O)NCC3CC=CCC3)CC2)c1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is AXIIMTBJKWNKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-17-6-5-9-19(14-17)16-22-10-12-23(13-11-22)20(24)21-15-18-7-3-2-4-8-18/h2-3,5-6,9,14,18H,4,7-8,10-13,15-16H2,1H3,(H,21,24).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 60593302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).