1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide

C13H26N2O2 — CID 86814691

IUPAC1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-15-8-6-5-7-12(15)13(17)14-11(9-16)10(2)3/h10-12,16H,4-9H2,1-3H3,(H,14,17)/t11-,12?/m1/s1
InChIKeyUCYGJBSDRLXOLO-JHJMLUEUSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds5

About 1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide

1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide (PubChem CID 86814691) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide
PubChem CID86814691
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-15-8-6-5-7-12(15)13(17)14-11(9-16)10(2)3/h10-12,16H,4-9H2,1-3H3,(H,14,17)/t11-,12?/m1/s1
InChIKeyUCYGJBSDRLXOLO-JHJMLUEUSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248
(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119369844
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
(2S)-N-cyclopropyl-1-ethylpyrrolidine-2-carboxamide
CID 89087707
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide
CID 79253075
1-(cyclopropanecarbonyl)-N-(1-hydroxy-3-methylbutan-2-yl)piperidine-3-carboxamide
CID 79252734
1-ethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]piperidine-2-carboxamide
CID 71977590
CID 66737893
CID 66737893
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide
CID 154801347
(E,4S)-4-[[2-[[(2R)-1-ethylpiperidine-2-carbonyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
CID 147415027
(2S)-N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
CID 104856123
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide?
The IUPAC name of 1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide (CID 86814691) is 1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide is CCN1CCCCC1C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of 1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide?
The InChIKey is UCYGJBSDRLXOLO-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15-8-6-5-7-12(15)13(17)14-11(9-16)10(2)3/h10-12,16H,4-9H2,1-3H3,(H,14,17)/t11-,12?/m1/s1.
What are the key properties of 1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide?
1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 86814691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).