1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide

C14H26N2O3 — CID 48846410

IUPAC1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide
SMILESCC(C)CCOC(C)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)6-9-19-11(3)14(18)16-7-4-12(5-8-16)13(15)17/h10-12H,4-9H2,1-3H3,(H2,15,17)
InChIKeyKTWYSNMIGWWUOX-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.16
Rot. Bonds6

About 1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide

1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide (PubChem CID 48846410) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide
PubChem CID48846410
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide
SMILESCC(C)CCOC(C)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)6-9-19-11(3)14(18)16-7-4-12(5-8-16)13(15)17/h10-12H,4-9H2,1-3H3,(H2,15,17)
InChIKeyKTWYSNMIGWWUOX-UHFFFAOYSA-N
XLogP1.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide (CID 48846410) is 1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide is CC(C)CCOC(C)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide?
The InChIKey is KTWYSNMIGWWUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)6-9-19-11(3)14(18)16-7-4-12(5-8-16)13(15)17/h10-12H,4-9H2,1-3H3,(H2,15,17).
What are the key properties of 1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide?
1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutoxy)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 48846410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).