(5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

C14H16ClN3OS — CID 119103878

IUPAC(5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc(C2CCCN(C(=O)c3ccc(Cl)s3)C2)n1
InChIInChI=1S/C14H16ClN3OS/c1-17-8-6-11(16-17)10-3-2-7-18(9-10)14(19)12-4-5-13(15)20-12/h4-6,8,10H,2-3,7,9H2,1H3
InChIKeyJKEZZIHHLNZKCS-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.15
Rot. Bonds2

About (5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 119103878) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID119103878
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name(5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc(C2CCCN(C(=O)c3ccc(Cl)s3)C2)n1
InChIInChI=1S/C14H16ClN3OS/c1-17-8-6-11(16-17)10-3-2-7-18(9-10)14(19)12-4-5-13(15)20-12/h4-6,8,10H,2-3,7,9H2,1H3
InChIKeyJKEZZIHHLNZKCS-UHFFFAOYSA-N
XLogP3.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-2-yl-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119103885
[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 129356851
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
(5-chlorothiophen-2-yl)-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 53192137
(5-chlorothiophen-2-yl)-[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 97268150
[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
CID 119596426
[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 119103853
[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 129356165
1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953871
2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 129356194
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 121021056

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 119103878) is (5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is Cn1ccc(C2CCCN(C(=O)c3ccc(Cl)s3)C2)n1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is JKEZZIHHLNZKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-17-8-6-11(16-17)10-3-2-7-18(9-10)14(19)12-4-5-13(15)20-12/h4-6,8,10H,2-3,7,9H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 309.82 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119103878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).