1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide

C13H21N5O2 — CID 47286047

IUPAC1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2ccn[nH]2)CC1
InChIInChI=1S/C13H21N5O2/c1-17(2)13(20)18-7-4-10(5-8-18)12(19)14-9-11-3-6-15-16-11/h3,6,10H,4-5,7-9H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyWQKMHVMBCXJTLB-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.42
Rot. Bonds3

About 1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide (PubChem CID 47286047) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide
PubChem CID47286047
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2ccn[nH]2)CC1
InChIInChI=1S/C13H21N5O2/c1-17(2)13(20)18-7-4-10(5-8-18)12(19)14-9-11-3-6-15-16-11/h3,6,10H,4-5,7-9H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyWQKMHVMBCXJTLB-UHFFFAOYSA-N
XLogP0.42
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide 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-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide (CID 47286047) is 1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCc2ccn[nH]2)CC1.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide?
The InChIKey is WQKMHVMBCXJTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-17(2)13(20)18-7-4-10(5-8-18)12(19)14-9-11-3-6-15-16-11/h3,6,10H,4-5,7-9H2,1-2H3,(H,14,19)(H,15,16).
What are the key properties of 1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 47286047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).