N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide

C11H20N2O3 — CID 115691430

IUPACN-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H20N2O3/c1-8(14)5-6-13(2)11(16)9-3-4-10(15)12-7-9/h8-9,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyDITRSZRSRWBNNW-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.26
Rot. Bonds4

About N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide

N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 115691430) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID115691430
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H20N2O3/c1-8(14)5-6-13(2)11(16)9-3-4-10(15)12-7-9/h8-9,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyDITRSZRSRWBNNW-UHFFFAOYSA-N
XLogP-0.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107437656
N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 115734509
N-methyl-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 74878818
N-methyl-6-oxo-N-(piperidin-4-ylmethyl)piperidine-3-carboxamide
CID 83192838
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 81484591
N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 115636243
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119655986
N-benzyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 74464257
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728353
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 109400314
N-methyl-6-oxo-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 112728459
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide (CID 115691430) is N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide is CC(O)CCN(C)C(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is DITRSZRSRWBNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(14)5-6-13(2)11(16)9-3-4-10(15)12-7-9/h8-9,14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide?
N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 115691430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).