1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide

C16H26N4O3 — CID 16925595

IUPAC1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCCCOc1nn(CCC)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H26N4O3/c1-3-7-20-11-13(15(18-20)23-10-4-2)16(22)19-8-5-12(6-9-19)14(17)21/h11-12H,3-10H2,1-2H3,(H2,17,21)
InChIKeyDXRIWHMNIJUAKY-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.42
Rot. Bonds7

About 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide

1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 16925595) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID16925595
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCCCOc1nn(CCC)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H26N4O3/c1-3-7-20-11-13(15(18-20)23-10-4-2)16(22)19-8-5-12(6-9-19)14(17)21/h11-12H,3-10H2,1-2H3,(H2,17,21)
InChIKeyDXRIWHMNIJUAKY-UHFFFAOYSA-N
XLogP1.42
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide (CID 16925595) is 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide is CCCOc1nn(CCC)cc1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is DXRIWHMNIJUAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-7-20-11-13(15(18-20)23-10-4-2)16(22)19-8-5-12(6-9-19)14(17)21/h11-12H,3-10H2,1-2H3,(H2,17,21).
What are the key properties of 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide?
1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 16925595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).