5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

C17H21N3OS — CID 95383194

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)c1
InChIInChI=1S/C17H21N3OS/c1-12-9-18-20(10-12)14-5-3-7-19(11-14)17(21)16-8-13-4-2-6-15(13)22-16/h8-10,14H,2-7,11H2,1H3/t14-/m0/s1
InChIKeyCSHKFRSQERZPRH-AWEZNQCLSA-N
MW315.44 g/mol
LogP3.22
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95383194) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID95383194
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)c1
InChIInChI=1S/C17H21N3OS/c1-12-9-18-20(10-12)14-5-3-7-19(11-14)17(21)16-8-13-4-2-6-15(13)22-16/h8-10,14H,2-7,11H2,1H3/t14-/m0/s1
InChIKeyCSHKFRSQERZPRH-AWEZNQCLSA-N
XLogP3.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 95287275
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314051
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125011992
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779726
methyl (3S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919441
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
[3-(methylamino)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 62536195
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
[3-(1-aminoethyl)piperidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone;hydrochloride
CID 119593805
(3-aminopiperidin-1-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
CID 119378461

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (CID 95383194) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is Cc1cnn([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)c1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is CSHKFRSQERZPRH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-9-18-20(10-12)14-5-3-7-19(11-14)17(21)16-8-13-4-2-6-15(13)22-16/h8-10,14H,2-7,11H2,1H3/t14-/m0/s1.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 315.44 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95383194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).