1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone

C18H22N4O2S — CID 155877859

IUPAC1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1
InChIInChI=1S/C18H22N4O2S/c23-16(13-15-3-12-25-14-15)20-10-4-18(5-11-20,22-9-1-6-19-22)17(24)21-7-2-8-21/h1,3,6,9,12,14H,2,4-5,7-8,10-11,13H2
InChIKeyMCTDFYMESRYCCN-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.74
Rot. Bonds4

About 1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone

1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 155877859) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID155877859
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1
InChIInChI=1S/C18H22N4O2S/c23-16(13-15-3-12-25-14-15)20-10-4-18(5-11-20,22-9-1-6-19-22)17(24)21-7-2-8-21/h1,3,6,9,12,14H,2,4-5,7-8,10-11,13H2
InChIKeyMCTDFYMESRYCCN-UHFFFAOYSA-N
XLogP1.74
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 155877979
(E)-1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 155872921
azetidin-1-yl-[4-pyrazol-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone;formic acid
CID 155879962
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 155877184
azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155879258
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
CID 136527078
1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
CID 97491859
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(1-pyrazol-1-ylcyclobutyl)methanone
CID 166313321
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-2-thiophen-3-ylethanone
CID 91837480

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone (CID 155877859) is 1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1.
What is the InChIKey of 1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is MCTDFYMESRYCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-16(13-15-3-12-25-14-15)20-10-4-18(5-11-20,22-9-1-6-19-22)17(24)21-7-2-8-21/h1,3,6,9,12,14H,2,4-5,7-8,10-11,13H2.
What are the key properties of 1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone?
1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 358.47 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 155877859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).