[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone

C21H26N4O2 — CID 155877979

IUPAC[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-2-17-5-7-18(8-6-17)19(26)23-15-9-21(10-16-23,25-14-3-11-22-25)20(27)24-12-4-13-24/h3,5-8,11,14H,2,4,9-10,12-13,15-16H2,1H3
InChIKeyPONIBCVAKZZVDD-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.31
Rot. Bonds4

About [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone

[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone (PubChem CID 155877979) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone
PubChem CID155877979
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-2-17-5-7-18(8-6-17)19(26)23-15-9-21(10-16-23,25-14-3-11-22-25)20(27)24-12-4-13-24/h3,5-8,11,14H,2,4,9-10,12-13,15-16H2,1H3
InChIKeyPONIBCVAKZZVDD-UHFFFAOYSA-N
XLogP2.31
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155873377
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 155877184
1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone
CID 155877859
phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120918643
azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155879258
azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
CID 155873362
azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone
CID 155872661
1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879215
1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56895738
1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 33168655
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116

Frequently Asked Questions

What is the IUPAC name of [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone (CID 155877979) is [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)cc1.
What is the InChIKey of [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone?
The InChIKey is PONIBCVAKZZVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-17-5-7-18(8-6-17)19(26)23-15-9-21(10-16-23,25-14-3-11-22-25)20(27)24-12-4-13-24/h3,5-8,11,14H,2,4,9-10,12-13,15-16H2,1H3.
What are the key properties of [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone?
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone has a molecular weight of 366.47 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 155877979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).