(3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide

C13H26N2O2 — CID 114113782

IUPAC(3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCOCC(NC(=O)[C@H]1CCCNC1)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-17-9-12(10(2)3)15-13(16)11-6-5-7-14-8-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t11-,12?/m0/s1
InChIKeyRZRLUJUUWGQPMA-PXYINDEMSA-N
MW242.36 g/mol
LogP1.16
Rot. Bonds6

About (3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide

(3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 114113782) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide
PubChem CID114113782
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCOCC(NC(=O)[C@H]1CCCNC1)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-17-9-12(10(2)3)15-13(16)11-6-5-7-14-8-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t11-,12?/m0/s1
InChIKeyRZRLUJUUWGQPMA-PXYINDEMSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 81133856
N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 18073012
N-(1-ethoxy-3-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 103274805
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
1-ethoxypropan-2-yl piperidine-3-carboxylate
CID 103489226
methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate
CID 43704259
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide (CID 114113782) is (3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide is CCOCC(NC(=O)[C@H]1CCCNC1)C(C)C.
What is the InChIKey of (3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is RZRLUJUUWGQPMA-PXYINDEMSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-17-9-12(10(2)3)15-13(16)11-6-5-7-14-8-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t11-,12?/m0/s1.
What are the key properties of (3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide?
(3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 114113782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).