N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

C21H26N4O2 — CID 75473787

IUPACN-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2(c3ccccc3)CCC2)C1
InChIInChI=1S/C21H26N4O2/c1-15(26)23-18-13-22-24-19(18)16-7-5-12-25(14-16)20(27)21(10-6-11-21)17-8-3-2-4-9-17/h2-4,8-9,13,16H,5-7,10-12,14H2,1H3,(H,22,24)(H,23,26)
InChIKeyJJPOFKZINDFKCM-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.20
Rot. Bonds4

About N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (PubChem CID 75473787) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
PubChem CID75473787
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2(c3ccccc3)CCC2)C1
InChIInChI=1S/C21H26N4O2/c1-15(26)23-18-13-22-24-19(18)16-7-5-12-25(14-16)20(27)21(10-6-11-21)17-8-3-2-4-9-17/h2-4,8-9,13,16H,5-7,10-12,14H2,1H3,(H,22,24)(H,23,26)
InChIKeyJJPOFKZINDFKCM-UHFFFAOYSA-N
XLogP3.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124997224
(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 97343503
N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473820
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343253
N-[5-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 146088376
N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343239
N-[5-[1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473815
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 53192155
N-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-4-yl]benzamide
CID 146088409
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
N-[5-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343244
morpholin-4-yl-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]methanone
CID 56807476

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (CID 75473787) is N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is CC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2(c3ccccc3)CCC2)C1.
What is the InChIKey of N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The InChIKey is JJPOFKZINDFKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(26)23-18-13-22-24-19(18)16-7-5-12-25(14-16)20(27)21(10-6-11-21)17-8-3-2-4-9-17/h2-4,8-9,13,16H,5-7,10-12,14H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 75473787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).