N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide

C12H24N2O2 — CID 62357636

IUPACN-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C12H24N2O2/c1-2-3-7-13-12(16)14-8-4-5-11(10-14)6-9-15/h11,15H,2-10H2,1H3,(H,13,16)
InChIKeyKKXUPKGMAIZEDG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.59
Rot. Bonds5

About N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide

N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 62357636) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID62357636
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C12H24N2O2/c1-2-3-7-13-12(16)14-8-4-5-11(10-14)6-9-15/h11,15H,2-10H2,1H3,(H,13,16)
InChIKeyKKXUPKGMAIZEDG-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide (CID 62357636) is N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide is CCCCNC(=O)N1CCCC(CCO)C1.
What is the InChIKey of N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is KKXUPKGMAIZEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-7-13-12(16)14-8-4-5-11(10-14)6-9-15/h11,15H,2-10H2,1H3,(H,13,16).
What are the key properties of N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide?
N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 62357636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).