(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone

C14H15ClN2OS — CID 151434811

IUPAC(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(n2cccc2)CC1
InChIInChI=1S/C14H15ClN2OS/c15-13-4-3-12(19-13)14(18)17-9-5-11(6-10-17)16-7-1-2-8-16/h1-4,7-8,11H,5-6,9-10H2
InChIKeyPDGRVDMCKQUOHH-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.68
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone

(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone (PubChem CID 151434811) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
PubChem CID151434811
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(n2cccc2)CC1
InChIInChI=1S/C14H15ClN2OS/c15-13-4-3-12(19-13)14(18)17-9-5-11(6-10-17)16-7-1-2-8-16/h1-4,7-8,11H,5-6,9-10H2
InChIKeyPDGRVDMCKQUOHH-UHFFFAOYSA-N
XLogP3.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
3-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156884
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
(5-chlorothiophen-2-yl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
CID 121020371
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 31058355
phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 2822452
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
(5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone
CID 146163932
(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 79879754

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone (CID 151434811) is (5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone is O=C(c1ccc(Cl)s1)N1CCC(n2cccc2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The InChIKey is PDGRVDMCKQUOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c15-13-4-3-12(19-13)14(18)17-9-5-11(6-10-17)16-7-1-2-8-16/h1-4,7-8,11H,5-6,9-10H2.
What are the key properties of (5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone has a molecular weight of 294.81 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 151434811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).