(3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide

C13H26N2O2 — CID 81140319

IUPAC(3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCC(C)N(CCOC)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H26N2O2/c1-4-11(2)15(8-9-17-3)13(16)12-6-5-7-14-10-12/h11-12,14H,4-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyKRAVAAJKZCVDAN-KIYNQFGBSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds6

About (3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide

(3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 81140319) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID81140319
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCC(C)N(CCOC)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H26N2O2/c1-4-11(2)15(8-9-17-3)13(16)12-6-5-7-14-10-12/h11-12,14H,4-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyKRAVAAJKZCVDAN-KIYNQFGBSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81140494
(3R)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81129096
(3S)-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81141076
(2R)-N-butan-2-yl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 103795441
(3R)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 104861614
(3R)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 103338846
3-amino-N-butan-2-yl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 66010253
N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride
CID 119306124
N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 61163560
4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid
CID 61162075
N-methyl-N-(2-propan-2-yloxyethyl)piperidine-3-carboxamide
CID 81055489

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 81140319) is (3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide is CCC(C)N(CCOC)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is KRAVAAJKZCVDAN-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11(2)15(8-9-17-3)13(16)12-6-5-7-14-10-12/h11-12,14H,4-10H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of (3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide?
(3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81140319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).