(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide

C12H24N2O3 — CID 106254036

IUPAC(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide
SMILESCOCCC(C)(O)CNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H24N2O3/c1-12(16,5-7-17-2)9-14-11(15)10-4-3-6-13-8-10/h10,13,16H,3-9H2,1-2H3,(H,14,15)/t10-,12?/m0/s1
InChIKeySKAMITIVZYRGBO-NUHJPDEHSA-N
MW244.33 g/mol
LogP-0.11
Rot. Bonds6

About (3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide

(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide (PubChem CID 106254036) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide
PubChem CID106254036
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide
SMILESCOCCC(C)(O)CNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H24N2O3/c1-12(16,5-7-17-2)9-14-11(15)10-4-3-6-13-8-10/h10,13,16H,3-9H2,1-2H3,(H,14,15)/t10-,12?/m0/s1
InChIKeySKAMITIVZYRGBO-NUHJPDEHSA-N
XLogP-0.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide
CID 106254571
3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133727
N-(2-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 115734334
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
N-(2-hydroxy-2-methylbutyl)pyrrolidine-3-carboxamide
CID 65106728
(3R)-N-(3-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 81140932
N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
CID 162568495
3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid
CID 66003959
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
CID 106176675
(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 114164701

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide (CID 106254036) is (3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide is COCCC(C)(O)CNC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide?
The InChIKey is SKAMITIVZYRGBO-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(16,5-7-17-2)9-14-11(15)10-4-3-6-13-8-10/h10,13,16H,3-9H2,1-2H3,(H,14,15)/t10-,12?/m0/s1.
What are the key properties of (3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide?
(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 106254036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).