(1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone

C15H23N3OS — CID 155710325

IUPAC(1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCSc1cnn(C2CCN(C(=O)C3(C)CCC3)CC2)c1
InChIInChI=1S/C15H23N3OS/c1-15(6-3-7-15)14(19)17-8-4-12(5-9-17)18-11-13(20-2)10-16-18/h10-12H,3-9H2,1-2H3
InChIKeyKDNBCOKHWQCSFH-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.96
Rot. Bonds3

About (1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone

(1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 155710325) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID155710325
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCSc1cnn(C2CCN(C(=O)C3(C)CCC3)CC2)c1
InChIInChI=1S/C15H23N3OS/c1-15(6-3-7-15)14(19)17-8-4-12(5-9-17)18-11-13(20-2)10-16-18/h10-12H,3-9H2,1-2H3
InChIKeyKDNBCOKHWQCSFH-UHFFFAOYSA-N
XLogP2.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(1-methylcyclobutyl)methanone
CID 119561901
CID 174065059
CID 174065059
2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 156511021
1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde
CID 155470315
3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfonyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155194942
3-deuterio-3-[9-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 164836538
cyclopropyl-[4-(4-hydroxypyrazol-1-yl)piperidin-1-yl]methanone
CID 166595328
3-[6-[1-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155194646
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46984877
[4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone
CID 120932337
N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide
CID 95280605

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone (CID 155710325) is (1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone is CSc1cnn(C2CCN(C(=O)C3(C)CCC3)CC2)c1.
What is the InChIKey of (1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is KDNBCOKHWQCSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-15(6-3-7-15)14(19)17-8-4-12(5-9-17)18-11-13(20-2)10-16-18/h10-12H,3-9H2,1-2H3.
What are the key properties of (1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone?
(1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 293.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclobutyl)-[4-(4-methylsulfanylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155710325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).