(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide

C13H26N2O2 — CID 114164701

IUPAC(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
SMILESCCC(CC)(CO)CNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H26N2O2/c1-3-13(4-2,10-16)9-15-12(17)11-6-5-7-14-8-11/h11,14,16H,3-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyBRZYOTFHAXWHDE-NSHDSACASA-N
MW242.36 g/mol
LogP0.90
Rot. Bonds6

About (3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide

(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide (PubChem CID 114164701) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
PubChem CID114164701
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
SMILESCCC(CC)(CO)CNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H26N2O2/c1-3-13(4-2,10-16)9-15-12(17)11-6-5-7-14-8-11/h11,14,16H,3-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyBRZYOTFHAXWHDE-NSHDSACASA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
CID 106176675
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-3-ylacetamide
CID 106255561
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
CID 162568495
N-(2-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 115734334
3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133727
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
N-(2-hydroxy-2-methylbutyl)pyrrolidine-3-carboxamide
CID 65106728
(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide
CID 106254036
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]piperidine-3-carboxamide;dihydrochloride
CID 119839517
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
CID 106176720

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide (CID 114164701) is (3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide is CCC(CC)(CO)CNC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide?
The InChIKey is BRZYOTFHAXWHDE-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-13(4-2,10-16)9-15-12(17)11-6-5-7-14-8-11/h11,14,16H,3-10H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide?
(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide is sourced from PubChem (CID 114164701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).