1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone

C16H20N2OS — CID 131916813

IUPAC1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc[nH]c1)N1CCCCC1CCc1cccs1
InChIInChI=1S/C16H20N2OS/c19-16(13-8-9-17-12-13)18-10-2-1-4-14(18)6-7-15-5-3-11-20-15/h3,5,8-9,11-12,14,17H,1-2,4,6-7,10H2
InChIKeyVBPMMCPKIVVWKW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.70
Rot. Bonds4

About 1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone

1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone (PubChem CID 131916813) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
PubChem CID131916813
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc[nH]c1)N1CCCCC1CCc1cccs1
InChIInChI=1S/C16H20N2OS/c19-16(13-8-9-17-12-13)18-10-2-1-4-14(18)6-7-15-5-3-11-20-15/h3,5,8-9,11-12,14,17H,1-2,4,6-7,10H2
InChIKeyVBPMMCPKIVVWKW-UHFFFAOYSA-N
XLogP3.70
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
CID 131910259
2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45229333
(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 70724327
2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 70772329
6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70733217
morpholin-4-yl-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 95708561
(3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131914126
5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one
CID 97203173
1-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802567
[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 29348207
5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97125561
(2R)-N-(2-methylsulfonylethyl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 126435167

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone (CID 131916813) is 1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone is O=C(c1cc[nH]c1)N1CCCCC1CCc1cccs1.
What is the InChIKey of 1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The InChIKey is VBPMMCPKIVVWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-16(13-8-9-17-12-13)18-10-2-1-4-14(18)6-7-15-5-3-11-20-15/h3,5,8-9,11-12,14,17H,1-2,4,6-7,10H2.
What are the key properties of 1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone has a molecular weight of 288.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 131916813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).