4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide

C13H26N2O2 — CID 111437840

IUPAC4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)4-7-14-13(17)15-8-5-12(6-9-15)11(3)16/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyXGKWBVJSYACANV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.83
Rot. Bonds4

About 4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide

4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide (PubChem CID 111437840) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
PubChem CID111437840
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)4-7-14-13(17)15-8-5-12(6-9-15)11(3)16/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyXGKWBVJSYACANV-UHFFFAOYSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
(3S)-3-[(1S)-1-hydroxyethyl]-N-(5-methylhexyl)pyrrolidine-1-carboxamide
CID 97351621
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 111438886
4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110312656
7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
N-(2-tert-butylsulfinylethyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111459110
2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107840959
N-(3-hydroxybutyl)-4-methylpiperidine-1-carboxamide
CID 79160258
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 106836780

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide (CID 111437840) is 4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide is CC(C)CCNC(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide?
The InChIKey is XGKWBVJSYACANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)4-7-14-13(17)15-8-5-12(6-9-15)11(3)16/h10-12,16H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 111437840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).