1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide

C14H23N5O2 — CID 71894156

IUPAC1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide
SMILESCc1[nH]ncc1CCCNC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H23N5O2/c1-10-12(9-17-18-10)3-2-6-16-14(21)19-7-4-11(5-8-19)13(15)20/h9,11H,2-8H2,1H3,(H2,15,20)(H,16,21)(H,17,18)
InChIKeyZCWHKVUBHXOPQU-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.56
Rot. Bonds5

About 1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide

1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide (PubChem CID 71894156) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide
PubChem CID71894156
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide
SMILESCc1[nH]ncc1CCCNC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H23N5O2/c1-10-12(9-17-18-10)3-2-6-16-14(21)19-7-4-11(5-8-19)13(15)20/h9,11H,2-8H2,1H3,(H2,15,20)(H,16,21)(H,17,18)
InChIKeyZCWHKVUBHXOPQU-UHFFFAOYSA-N
XLogP0.56
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide (CID 71894156) is 1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide is Cc1[nH]ncc1CCCNC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide?
The InChIKey is ZCWHKVUBHXOPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10-12(9-17-18-10)3-2-6-16-14(21)19-7-4-11(5-8-19)13(15)20/h9,11H,2-8H2,1H3,(H2,15,20)(H,16,21)(H,17,18).
What are the key properties of 1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide?
1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 71894156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).