1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one

C17H28N4O — CID 126824246

IUPAC1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one
SMILESCC(C)(C)CN1CCCC(N2CCC(c3ncc[nH]3)C2)C1=O
InChIInChI=1S/C17H28N4O/c1-17(2,3)12-21-9-4-5-14(16(21)22)20-10-6-13(11-20)15-18-7-8-19-15/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,18,19)
InChIKeyOKPMZVDIMNESRT-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.24
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one

1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one (PubChem CID 126824246) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one
PubChem CID126824246
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one
SMILESCC(C)(C)CN1CCCC(N2CCC(c3ncc[nH]3)C2)C1=O
InChIInChI=1S/C17H28N4O/c1-17(2,3)12-21-9-4-5-14(16(21)22)20-10-6-13(11-20)15-18-7-8-19-15/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,18,19)
InChIKeyOKPMZVDIMNESRT-UHFFFAOYSA-N
XLogP2.24
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Treamid
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methyl {2-[3-(1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}carbamate
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CID 72852965
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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one (CID 126824246) is 1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one is CC(C)(C)CN1CCCC(N2CCC(c3ncc[nH]3)C2)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is OKPMZVDIMNESRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-17(2,3)12-21-9-4-5-14(16(21)22)20-10-6-13(11-20)15-18-7-8-19-15/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one?
1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 304.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 126824246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).