1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide

C11H20N2O3 — CID 79201154

IUPAC1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)CCCO
InChIInChI=1S/C11H20N2O3/c1-8-4-5-9(11(12)16)7-13(8)10(15)3-2-6-14/h8-9,14H,2-7H2,1H3,(H2,12,16)
InChIKeyQRJBOJHNTRBNFX-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.13
Rot. Bonds4

About 1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide

1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 79201154) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
PubChem CID79201154
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)CCCO
InChIInChI=1S/C11H20N2O3/c1-8-4-5-9(11(12)16)7-13(8)10(15)3-2-6-14/h8-9,14H,2-7H2,1H3,(H2,12,16)
InChIKeyQRJBOJHNTRBNFX-UHFFFAOYSA-N
XLogP-0.13
TPSA83.63 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 ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide
CID 54875909
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
(3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide
CID 95148877
(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide
CID 95584894
(3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 95584930
ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
CID 86776925
(3S,6R)-1-[4-(3-acetylphenoxy)butanoyl]-6-methylpiperidine-3-carboxamide
CID 94820119
(3S,6S)-1-[4-(3-acetylphenoxy)butanoyl]-6-methylpiperidine-3-carboxamide
CID 94820120
6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide
CID 47417132
6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide
CID 54944945
1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 71974024

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide (CID 79201154) is 1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)CCCO.
What is the InChIKey of 1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is QRJBOJHNTRBNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-4-5-9(11(12)16)7-13(8)10(15)3-2-6-14/h8-9,14H,2-7H2,1H3,(H2,12,16).
What are the key properties of 1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide?
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 79201154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).