1-butanoylpiperidine-4-carboxamide

C10H18N2O2 — CID 17312169

IUPAC1-butanoylpiperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H18N2O2/c1-2-3-9(13)12-6-4-8(5-7-12)10(11)14/h8H,2-7H2,1H3,(H2,11,14)
InChIKeyQJFOPIVTWSBVCE-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.51
Rot. Bonds3

About 1-butanoylpiperidine-4-carboxamide

1-butanoylpiperidine-4-carboxamide (PubChem CID 17312169) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-butanoylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoylpiperidine-4-carboxamide
PubChem CID17312169
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-butanoylpiperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H18N2O2/c1-2-3-9(13)12-6-4-8(5-7-12)10(11)14/h8H,2-7H2,1H3,(H2,11,14)
InChIKeyQJFOPIVTWSBVCE-UHFFFAOYSA-N
XLogP0.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butanoylpiperidine-4-carboxamide?
The IUPAC name of 1-butanoylpiperidine-4-carboxamide (CID 17312169) is 1-butanoylpiperidine-4-carboxamide.
What is the SMILES notation for 1-butanoylpiperidine-4-carboxamide?
The canonical SMILES for 1-butanoylpiperidine-4-carboxamide is CCCC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-butanoylpiperidine-4-carboxamide?
The InChIKey is QJFOPIVTWSBVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-9(13)12-6-4-8(5-7-12)10(11)14/h8H,2-7H2,1H3,(H2,11,14).
What are the key properties of 1-butanoylpiperidine-4-carboxamide?
1-butanoylpiperidine-4-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoylpiperidine-4-carboxamide is sourced from PubChem (CID 17312169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).