1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

C20H31N5O2 — CID 155879702

IUPAC1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C20H31N5O2/c1-23(2)19(27)20(22-17-9-12-21-24(17)3)10-13-25(14-11-20)18(26)15-16-7-5-4-6-8-16/h7,9,12,22H,4-6,8,10-11,13-15H2,1-3H3
InChIKeyCDGZVEZHTDBJON-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.17
Rot. Bonds5

About 1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (PubChem CID 155879702) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
PubChem CID155879702
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C20H31N5O2/c1-23(2)19(27)20(22-17-9-12-21-24(17)3)10-13-25(14-11-20)18(26)15-16-7-5-4-6-8-16/h7,9,12,22H,4-6,8,10-11,13-15H2,1-3H3
InChIKeyCDGZVEZHTDBJON-UHFFFAOYSA-N
XLogP2.17
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
CID 155879891
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707162
1-[(2-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878918
2-(cyclohexen-1-yl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727391
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406333
6-[2-(cyclohexen-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175104
4-anilino-N,N-dimethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 155874172
2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738883
2-(cyclohexen-1-yl)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 84592419
2-(cyclohexen-1-yl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738872
ethyl 4-[[6-[2-(cyclohexen-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 45240534
1-[2-(cyclohexen-1-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258940

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (CID 155879702) is 1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)CC2=CCCCC2)CC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The InChIKey is CDGZVEZHTDBJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-23(2)19(27)20(22-17-9-12-21-24(17)3)10-13-25(14-11-20)18(26)15-16-7-5-4-6-8-16/h7,9,12,22H,4-6,8,10-11,13-15H2,1-3H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 155879702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).