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

C17H21N3OS — CID 125011992

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1
InChIInChI=1S/C17H21N3OS/c1-11-9-18-19-16(11)13-5-3-7-20(10-13)17(21)15-8-12-4-2-6-14(12)22-15/h8-9,13H,2-7,10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyVUJVZTJRXZNQJR-ZDUSSCGKSA-N
MW315.44 g/mol
LogP3.29
Rot. Bonds2

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

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 125011992) 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-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID125011992
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1
InChIInChI=1S/C17H21N3OS/c1-11-9-18-19-16(11)13-5-3-7-20(10-13)17(21)15-8-12-4-2-6-14(12)22-15/h8-9,13H,2-7,10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyVUJVZTJRXZNQJR-ZDUSSCGKSA-N
XLogP3.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 125022013
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 132764173
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95383194
methyl (3S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919441
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125025980
[3-(methylamino)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 62536195
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
4-[1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 135882181
[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
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124980360
3-amino-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 171687293

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 125011992) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is VUJVZTJRXZNQJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-11-9-18-19-16(11)13-5-3-7-20(10-13)17(21)15-8-12-4-2-6-14(12)22-15/h8-9,13H,2-7,10H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 315.44 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 125011992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).