N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide

C12H24N2O2 — CID 56794735

IUPACN-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C12H24N2O2/c1-3-10(2)13-12(16)14-7-4-5-11(9-14)6-8-15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyOYTLFJKUWQXWSS-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.59
Rot. Bonds4

About N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide

N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 56794735) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID56794735
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C12H24N2O2/c1-3-10(2)13-12(16)14-7-4-5-11(9-14)6-8-15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyOYTLFJKUWQXWSS-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide (CID 56794735) is N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide is CCC(C)NC(=O)N1CCCC(CCO)C1.
What is the InChIKey of N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is OYTLFJKUWQXWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-10(2)13-12(16)14-7-4-5-11(9-14)6-8-15/h10-11,15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide?
N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 56794735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).