4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide

C16H31N3O2 — CID 167814086

IUPAC4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide
SMILESCC(C)(O)C(C)(C)CNC(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-15(2,16(3,4)21)12-17-14(20)19-10-8-18(9-11-19)13-6-5-7-13/h13,21H,5-12H2,1-4H3,(H,17,20)
InChIKeyKFOLZEUYSNLTGS-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.66
Rot. Bonds4

About 4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide

4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide (PubChem CID 167814086) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide
PubChem CID167814086
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide
SMILESCC(C)(O)C(C)(C)CNC(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-15(2,16(3,4)21)12-17-14(20)19-10-8-18(9-11-19)13-6-5-7-13/h13,21H,5-12H2,1-4H3,(H,17,20)
InChIKeyKFOLZEUYSNLTGS-UHFFFAOYSA-N
XLogP1.66
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121
4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115583954
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144
2-[[(4-cyclopentylpiperazine-1-carbonyl)amino]methyl]butanoic acid
CID 65221564
N-(2-aminoethyl)-4-cyclopropylpiperazine-1-carboxamide
CID 82508516
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide
CID 60597940
4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811347
4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide
CID 99823226
2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463898
3-chloro-1-(4-cyclopentylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 55245823

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide?
The IUPAC name of 4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide (CID 167814086) is 4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide is CC(C)(O)C(C)(C)CNC(=O)N1CCN(C2CCC2)CC1.
What is the InChIKey of 4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide?
The InChIKey is KFOLZEUYSNLTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-15(2,16(3,4)21)12-17-14(20)19-10-8-18(9-11-19)13-6-5-7-13/h13,21H,5-12H2,1-4H3,(H,17,20).
What are the key properties of 4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide?
4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 167814086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).