1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide

C12H24N2O2 — CID 54039617

IUPAC1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCCCCN1CCC(C(=O)NCCO)CC1
InChIInChI=1S/C12H24N2O2/c1-2-3-7-14-8-4-11(5-9-14)12(16)13-6-10-15/h11,15H,2-10H2,1H3,(H,13,16)
InChIKeyLLKMNYYHESJJOR-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds6

About 1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide

1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 54039617) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID54039617
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCCCCN1CCC(C(=O)NCCO)CC1
InChIInChI=1S/C12H24N2O2/c1-2-3-7-14-8-4-11(5-9-14)12(16)13-6-10-15/h11,15H,2-10H2,1H3,(H,13,16)
InChIKeyLLKMNYYHESJJOR-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
1-(3-hydroxypropyl)-N-propylpiperidine-4-carboxamide
CID 110884748
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
N-(3-ethoxypropyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60500354
(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate
CID 23171365
N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091
1-butyl-N-propylpiperidine-3-carboxamide
CID 60606926
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 4531205
1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 60559721
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 54039617) is 1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide is CCCCN1CCC(C(=O)NCCO)CC1.
What is the InChIKey of 1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is LLKMNYYHESJJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-7-14-8-4-11(5-9-14)12(16)13-6-10-15/h11,15H,2-10H2,1H3,(H,13,16).
What are the key properties of 1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 54039617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).