N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C15H26N2O3 — CID 110016705

IUPACN-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)N1CCC(C)C(C)C1
InChIInChI=1S/C15H26N2O3/c1-9-6-7-17(8-10(9)2)15(20)13(11(3)18)16-14(19)12-4-5-12/h9-13,18H,4-8H2,1-3H3,(H,16,19)
InChIKeyMOBRKQHBWILEPZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.77
Rot. Bonds4

About N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110016705) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110016705
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)N1CCC(C)C(C)C1
InChIInChI=1S/C15H26N2O3/c1-9-6-7-17(8-10(9)2)15(20)13(11(3)18)16-14(19)12-4-5-12/h9-13,18H,4-8H2,1-3H3,(H,16,19)
InChIKeyMOBRKQHBWILEPZ-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide
CID 110015987
N-[1-(2,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110016102
N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014814
N-[1-(4-tert-butylazepan-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015863
N-[1-(2-azaspiro[4.5]decan-2-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014781
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(3S)-1-[(2S,3R)-3-hydroxy-2-methylbutanoyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carboxamide
CID 130258507
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 42706571
(2S,3S)-3-hydroxy-2-[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoate
CID 7091449
N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide
CID 128656168
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 42707760
1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide
CID 29439895

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110016705) is N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is CC(O)C(NC(=O)C1CC1)C(=O)N1CCC(C)C(C)C1.
What is the InChIKey of N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is MOBRKQHBWILEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-9-6-7-17(8-10(9)2)15(20)13(11(3)18)16-14(19)12-4-5-12/h9-13,18H,4-8H2,1-3H3,(H,16,19).
What are the key properties of N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110016705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).