4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea

C15H25N5O2 — CID 166835201

IUPAC4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea
SMILESNC(=O)NCCCCC1CCN(C(=O)Cc2cn[nH]c2)CC1
InChIInChI=1S/C15H25N5O2/c16-15(22)17-6-2-1-3-12-4-7-20(8-5-12)14(21)9-13-10-18-19-11-13/h10-12H,1-9H2,(H,18,19)(H3,16,17,22)
InChIKeyVUHHXMIZLNTFOB-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.03
Rot. Bonds7

About 4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea

4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea (PubChem CID 166835201) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea.

Molecular Properties

Compound Name4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea
PubChem CID166835201
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea
SMILESNC(=O)NCCCCC1CCN(C(=O)Cc2cn[nH]c2)CC1
InChIInChI=1S/C15H25N5O2/c16-15(22)17-6-2-1-3-12-4-7-20(8-5-12)14(21)9-13-10-18-19-11-13/h10-12H,1-9H2,(H,18,19)(H3,16,17,22)
InChIKeyVUHHXMIZLNTFOB-UHFFFAOYSA-N
XLogP1.03
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.03
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 4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea?
The IUPAC name of 4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea (CID 166835201) is 4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea.
What is the SMILES notation for 4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea?
The canonical SMILES for 4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea is NC(=O)NCCCCC1CCN(C(=O)Cc2cn[nH]c2)CC1.
What is the InChIKey of 4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea?
The InChIKey is VUHHXMIZLNTFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c16-15(22)17-6-2-1-3-12-4-7-20(8-5-12)14(21)9-13-10-18-19-11-13/h10-12H,1-9H2,(H,18,19)(H3,16,17,22).
What are the key properties of 4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea?
4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea has a molecular weight of 307.40 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea is sourced from PubChem (CID 166835201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).