5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

C18H22N4O3 — CID 91628861

IUPAC5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCC(Oc1ccccc1)C(=O)N1CCC(c2cc(C(N)=O)n[nH]2)CC1
InChIInChI=1S/C18H22N4O3/c1-12(25-14-5-3-2-4-6-14)18(24)22-9-7-13(8-10-22)15-11-16(17(19)23)21-20-15/h2-6,11-13H,7-10H2,1H3,(H2,19,23)(H,20,21)
InChIKeyYGFOAZNLMLWYGN-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.68
Rot. Bonds5

About 5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628861) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628861
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCC(Oc1ccccc1)C(=O)N1CCC(c2cc(C(N)=O)n[nH]2)CC1
InChIInChI=1S/C18H22N4O3/c1-12(25-14-5-3-2-4-6-14)18(24)22-9-7-13(8-10-22)15-11-16(17(19)23)21-20-15/h2-6,11-13H,7-10H2,1H3,(H2,19,23)(H,20,21)
InChIKeyYGFOAZNLMLWYGN-UHFFFAOYSA-N
XLogP1.68
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
(2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
CID 95984069
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 122279328
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 75479278
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707
5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628866
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
2-(3-chlorophenoxy)-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 163340299

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 91628861) is 5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is CC(Oc1ccccc1)C(=O)N1CCC(c2cc(C(N)=O)n[nH]2)CC1.
What is the InChIKey of 5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is YGFOAZNLMLWYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(25-14-5-3-2-4-6-14)18(24)22-9-7-13(8-10-22)15-11-16(17(19)23)21-20-15/h2-6,11-13H,7-10H2,1H3,(H2,19,23)(H,20,21).
What are the key properties of 5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).