N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide

C12H22N2O3 — CID 18734990

IUPACN-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide
SMILESCC(=O)C(O)C(C)NC(=O)C1CCN(C)CC1
InChIInChI=1S/C12H22N2O3/c1-8(11(16)9(2)15)13-12(17)10-4-6-14(3)7-5-10/h8,10-11,16H,4-7H2,1-3H3,(H,13,17)
InChIKeyIILYSGNITHOPMN-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.22
Rot. Bonds4

About N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide

N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide (PubChem CID 18734990) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide
PubChem CID18734990
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide
SMILESCC(=O)C(O)C(C)NC(=O)C1CCN(C)CC1
InChIInChI=1S/C12H22N2O3/c1-8(11(16)9(2)15)13-12(17)10-4-6-14(3)7-5-10/h8,10-11,16H,4-7H2,1-3H3,(H,13,17)
InChIKeyIILYSGNITHOPMN-UHFFFAOYSA-N
XLogP-0.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

n-(2-Hydroxypropyl)piperidine-4-carboxamide
CID 16769868
N-cyclohexyl-2-hydroxy-3-methylbutanamide
CID 101272726
N-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]cyclobutanecarboxamide
CID 71989064
2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide
CID 164636234
N-[(3-fluoropiperidin-4-yl)methyl]-2-hydroxy-N-propan-2-ylpropanamide
CID 139518591
1-butanoyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)piperidine-4-carboxamide
CID 75395813
1-butanoyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide
CID 97251768
1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide
CID 97251769
1-butanoyl-N-[(2R,3S)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide
CID 97251770
1-butanoyl-N-[(2R,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide
CID 97251771
N-[(2S)-1-hydroxypropan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110287805
N-[(2R)-2-hydroxypropyl]piperidine-4-carboxamide
CID 7172190

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide (CID 18734990) is N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide is CC(=O)C(O)C(C)NC(=O)C1CCN(C)CC1.
What is the InChIKey of N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide?
The InChIKey is IILYSGNITHOPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(11(16)9(2)15)13-12(17)10-4-6-14(3)7-5-10/h8,10-11,16H,4-7H2,1-3H3,(H,13,17).
What are the key properties of N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide?
N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 18734990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).