azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone

C18H24N4OS — CID 155872661

IUPACazetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone
SMILESCc1ccc(CN2CCC(C(=O)N3CCC3)(n3cccn3)CC2)s1
InChIInChI=1S/C18H24N4OS/c1-15-4-5-16(24-15)14-20-12-6-18(7-13-20,22-11-2-8-19-22)17(23)21-9-3-10-21/h2,4-5,8,11H,3,6-7,9-10,12-14H2,1H3
InChIKeyODVWFSNWKXVRPE-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.48
Rot. Bonds4

About azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone

azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone (PubChem CID 155872661) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone
PubChem CID155872661
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Nameazetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone
SMILESCc1ccc(CN2CCC(C(=O)N3CCC3)(n3cccn3)CC2)s1
InChIInChI=1S/C18H24N4OS/c1-15-4-5-16(24-15)14-20-12-6-18(7-13-20,22-11-2-8-19-22)17(23)21-9-3-10-21/h2,4-5,8,11H,3,6-7,9-10,12-14H2,1H3
InChIKeyODVWFSNWKXVRPE-UHFFFAOYSA-N
XLogP2.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-[4-pyrazol-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone;formic acid
CID 155879962
azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
CID 155873362
azetidin-1-yl-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone;formic acid
CID 155879868
[4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 155873989
azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155873377
azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155879258
1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone
CID 155877859
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931021
2-[4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65062127
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 155877184
(E)-1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 155872921
2-methyl-1-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 162374363

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone?
The IUPAC name of azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone (CID 155872661) is azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone?
The canonical SMILES for azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone is Cc1ccc(CN2CCC(C(=O)N3CCC3)(n3cccn3)CC2)s1.
What is the InChIKey of azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone?
The InChIKey is ODVWFSNWKXVRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-15-4-5-16(24-15)14-20-12-6-18(7-13-20,22-11-2-8-19-22)17(23)21-9-3-10-21/h2,4-5,8,11H,3,6-7,9-10,12-14H2,1H3.
What are the key properties of azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone?
azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone is sourced from PubChem (CID 155872661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).