3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide

C13H25N3O3 — CID 112542681

IUPAC3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide
SMILESCC(C)C(=O)NC1CC(CCCO)CN(C(N)=O)C1
InChIInChI=1S/C13H25N3O3/c1-9(2)12(18)15-11-6-10(4-3-5-17)7-16(8-11)13(14)19/h9-11,17H,3-8H2,1-2H3,(H2,14,19)(H,15,18)
InChIKeyCDEPYKARELNDDT-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.30
Rot. Bonds5

About 3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide

3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide (PubChem CID 112542681) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide
PubChem CID112542681
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide
SMILESCC(C)C(=O)NC1CC(CCCO)CN(C(N)=O)C1
InChIInChI=1S/C13H25N3O3/c1-9(2)12(18)15-11-6-10(4-3-5-17)7-16(8-11)13(14)19/h9-11,17H,3-8H2,1-2H3,(H2,14,19)(H,15,18)
InChIKeyCDEPYKARELNDDT-UHFFFAOYSA-N
XLogP0.30
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide?
The IUPAC name of 3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide (CID 112542681) is 3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide?
The canonical SMILES for 3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide is CC(C)C(=O)NC1CC(CCCO)CN(C(N)=O)C1.
What is the InChIKey of 3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide?
The InChIKey is CDEPYKARELNDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(2)12(18)15-11-6-10(4-3-5-17)7-16(8-11)13(14)19/h9-11,17H,3-8H2,1-2H3,(H2,14,19)(H,15,18).
What are the key properties of 3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide?
3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 112542681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).