3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one

C15H28N2O2 — CID 107159445

IUPAC3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one
SMILESCC(C)(C)CC(O)CN1CCCC(NC2CC2)C1=O
InChIInChI=1S/C15H28N2O2/c1-15(2,3)9-12(18)10-17-8-4-5-13(14(17)19)16-11-6-7-11/h11-13,16,18H,4-10H2,1-3H3
InChIKeyWBGBRUJOWLMQCG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds5

About 3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one

3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one (PubChem CID 107159445) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one
PubChem CID107159445
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one
SMILESCC(C)(C)CC(O)CN1CCCC(NC2CC2)C1=O
InChIInChI=1S/C15H28N2O2/c1-15(2,3)9-12(18)10-17-8-4-5-13(14(17)19)16-11-6-7-11/h11-13,16,18H,4-10H2,1-3H3
InChIKeyWBGBRUJOWLMQCG-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one
CID 107159444
3-(cyclopropylamino)-1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidin-2-one
CID 106149590
3-(cyclopropylamino)-1-[(1-methylcyclobutyl)methyl]piperidin-2-one
CID 114109373
3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one
CID 114516757
3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 65035410
N-cyclopropyl-3-[3-(cyclopropylamino)-2-oxopiperidin-1-yl]propanamide
CID 79400868
1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one
CID 113493057
1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one
CID 66173488
3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one
CID 106305737
3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one
CID 106137685
(3R)-3-(thian-4-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97104581
3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 114185131

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one (CID 107159445) is 3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one is CC(C)(C)CC(O)CN1CCCC(NC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one?
The InChIKey is WBGBRUJOWLMQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)9-12(18)10-17-8-4-5-13(14(17)19)16-11-6-7-11/h11-13,16,18H,4-10H2,1-3H3.
What are the key properties of 3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one?
3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one is sourced from PubChem (CID 107159445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).