N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide

C16H25N5O2 — CID 141163300

IUPACN-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCC(=O)NCCNC(=O)N1CCC(n2nccc2C2CC2)CC1
InChIInChI=1S/C16H25N5O2/c1-12(22)17-8-9-18-16(23)20-10-5-14(6-11-20)21-15(4-7-19-21)13-2-3-13/h4,7,13-14H,2-3,5-6,8-11H2,1H3,(H,17,22)(H,18,23)
InChIKeyFZLRTYKQMOVNRN-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.24
Rot. Bonds5

About N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide

N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide (PubChem CID 141163300) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide
PubChem CID141163300
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCC(=O)NCCNC(=O)N1CCC(n2nccc2C2CC2)CC1
InChIInChI=1S/C16H25N5O2/c1-12(22)17-8-9-18-16(23)20-10-5-14(6-11-20)21-15(4-7-19-21)13-2-3-13/h4,7,13-14H,2-3,5-6,8-11H2,1H3,(H,17,22)(H,18,23)
InChIKeyFZLRTYKQMOVNRN-UHFFFAOYSA-N
XLogP1.24
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide 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 N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide (CID 141163300) is N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide is CC(=O)NCCNC(=O)N1CCC(n2nccc2C2CC2)CC1.
What is the InChIKey of N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide?
The InChIKey is FZLRTYKQMOVNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12(22)17-8-9-18-16(23)20-10-5-14(6-11-20)21-15(4-7-19-21)13-2-3-13/h4,7,13-14H,2-3,5-6,8-11H2,1H3,(H,17,22)(H,18,23).
What are the key properties of N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide?
N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 141163300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).