1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

C19H30N4O2 — CID 45221731

IUPAC1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1cccn1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H30N4O2/c24-18-9-8-17(15-22(18)14-16-6-2-1-3-7-16)19(25)20-10-4-12-23-13-5-11-21-23/h5,11,13,16-17H,1-4,6-10,12,14-15H2,(H,20,25)
InChIKeyKMJJRNYPZUYLAO-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.21
Rot. Bonds7

About 1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 45221731) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID45221731
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1cccn1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H30N4O2/c24-18-9-8-17(15-22(18)14-16-6-2-1-3-7-16)19(25)20-10-4-12-23-13-5-11-21-23/h5,11,13,16-17H,1-4,6-10,12,14-15H2,(H,20,25)
InChIKeyKMJJRNYPZUYLAO-UHFFFAOYSA-N
XLogP2.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
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 1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (CID 45221731) is 1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is O=C(NCCCn1cccn1)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is KMJJRNYPZUYLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-18-9-8-17(15-22(18)14-16-6-2-1-3-7-16)19(25)20-10-4-12-23-13-5-11-21-23/h5,11,13,16-17H,1-4,6-10,12,14-15H2,(H,20,25).
What are the key properties of 1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 45221731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).