N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide

C16H28N2O3 — CID 110015987

IUPACN-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide
SMILESCC(C)C1CCN(C(=O)C(NC(=O)C2CC2)C(C)O)CC1
InChIInChI=1S/C16H28N2O3/c1-10(2)12-6-8-18(9-7-12)16(21)14(11(3)19)17-15(20)13-4-5-13/h10-14,19H,4-9H2,1-3H3,(H,17,20)
InChIKeyRELHPZSPJAJXSL-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.16
Rot. Bonds5

About N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide

N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide (PubChem CID 110015987) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide
PubChem CID110015987
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide
SMILESCC(C)C1CCN(C(=O)C(NC(=O)C2CC2)C(C)O)CC1
InChIInChI=1S/C16H28N2O3/c1-10(2)12-6-8-18(9-7-12)16(21)14(11(3)19)17-15(20)13-4-5-13/h10-14,19H,4-9H2,1-3H3,(H,17,20)
InChIKeyRELHPZSPJAJXSL-UHFFFAOYSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110016705
N-[1-(4-tert-butylazepan-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015863
N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014814
N-[1-(2-azaspiro[4.5]decan-2-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014781
N-[1-(2,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110016102
N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide
CID 128656168
1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide
CID 29439895
(2S,3S)-3-hydroxy-2-[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoate
CID 7091449
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 154863211
(2S,3S)-3-hydroxy-2-[[1-[(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]amino]butanoic acid
CID 40872640
N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014380
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide (CID 110015987) is N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide is CC(C)C1CCN(C(=O)C(NC(=O)C2CC2)C(C)O)CC1.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide?
The InChIKey is RELHPZSPJAJXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-10(2)12-6-8-18(9-7-12)16(21)14(11(3)19)17-15(20)13-4-5-13/h10-14,19H,4-9H2,1-3H3,(H,17,20).
What are the key properties of N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide?
N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110015987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).