1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide

C12H24N2O2 — CID 114447589

IUPAC1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide
SMILESCC(C)C(C)(O)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)12(3,16)8-14-6-4-5-10(7-14)11(13)15/h9-10,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyMTFTXPOUMPZSKE-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.59
Rot. Bonds4

About 1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide

1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide (PubChem CID 114447589) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide
PubChem CID114447589
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide
SMILESCC(C)C(C)(O)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)12(3,16)8-14-6-4-5-10(7-14)11(13)15/h9-10,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyMTFTXPOUMPZSKE-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)piperidine-3-carboxamide
CID 79628715
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114448938
1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide
CID 23456665
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
CID 114449091
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide (CID 114447589) is 1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide is CC(C)C(C)(O)CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide?
The InChIKey is MTFTXPOUMPZSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)12(3,16)8-14-6-4-5-10(7-14)11(13)15/h9-10,16H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide?
1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 114447589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).