4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide

C19H35N3O2 — CID 168727019

IUPAC4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
SMILESCC(C)C1CCC(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-14(2)15-6-8-16(9-7-15)20-18(24)22-12-10-21(11-13-22)17(23)19(3,4)5/h14-16H,6-13H2,1-5H3,(H,20,24)
InChIKeyBWWNMSHYWBCNPI-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.10
Rot. Bonds2

About 4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide

4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide (PubChem CID 168727019) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
PubChem CID168727019
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
SMILESCC(C)C1CCC(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-14(2)15-6-8-16(9-7-15)20-18(24)22-12-10-21(11-13-22)17(23)19(3,4)5/h14-16H,6-13H2,1-5H3,(H,20,24)
InChIKeyBWWNMSHYWBCNPI-UHFFFAOYSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
CID 146393563
4-(2,2-dimethylpropanoyl)-N-(oxepan-4-yl)piperazine-1-carboxamide
CID 127754010
N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
CID 115629287
4-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 162725913
(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide
CID 61178441
4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide
CID 55218893
1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83991687
4-(1-aminopropan-2-yl)-N-cyclopropylpiperazine-1-carboxamide
CID 63338975
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363
(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 119812015
4-N-tert-butyl-1-N-cyclopropylpiperidine-1,4-dicarboxamide
CID 47238287
1-N-cyclopropyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 47177764

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide (CID 168727019) is 4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide is CC(C)C1CCC(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide?
The InChIKey is BWWNMSHYWBCNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-14(2)15-6-8-16(9-7-15)20-18(24)22-12-10-21(11-13-22)17(23)19(3,4)5/h14-16H,6-13H2,1-5H3,(H,20,24).
What are the key properties of 4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide?
4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide is sourced from PubChem (CID 168727019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).