3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide

C16H25N5O2 — CID 72892414

IUPAC3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCCCn2nccc2C2CC2)C1
InChIInChI=1S/C16H25N5O2/c17-16(23)20-9-1-3-13(11-20)15(22)18-7-2-10-21-14(6-8-19-21)12-4-5-12/h6,8,12-13H,1-5,7,9-11H2,(H2,17,23)(H,18,22)
InChIKeyCGRUFABBVGZNJW-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.06
Rot. Bonds6

About 3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide

3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide (PubChem CID 72892414) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
PubChem CID72892414
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCCCn2nccc2C2CC2)C1
InChIInChI=1S/C16H25N5O2/c17-16(23)20-9-1-3-13(11-20)15(22)18-7-2-10-21-14(6-8-19-21)12-4-5-12/h6,8,12-13H,1-5,7,9-11H2,(H2,17,23)(H,18,22)
InChIKeyCGRUFABBVGZNJW-UHFFFAOYSA-N
XLogP1.06
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide (CID 72892414) is 3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCCC(C(=O)NCCCn2nccc2C2CC2)C1.
What is the InChIKey of 3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide?
The InChIKey is CGRUFABBVGZNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c17-16(23)20-9-1-3-13(11-20)15(22)18-7-2-10-21-14(6-8-19-21)12-4-5-12/h6,8,12-13H,1-5,7,9-11H2,(H2,17,23)(H,18,22).
What are the key properties of 3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide?
3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 72892414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).