piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C14H20N2OS — CID 54871703

IUPACpiperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCCN1)N1CCCC1c1ccsc1
InChIInChI=1S/C14H20N2OS/c17-14(12-4-1-2-7-15-12)16-8-3-5-13(16)11-6-9-18-10-11/h6,9-10,12-13,15H,1-5,7-8H2
InChIKeyMTOLXIQTPJQJDM-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.55
Rot. Bonds2

About piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 54871703) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namepiperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID54871703
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Namepiperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCCN1)N1CCCC1c1ccsc1
InChIInChI=1S/C14H20N2OS/c17-14(12-4-1-2-7-15-12)16-8-3-5-13(16)11-6-9-18-10-11/h6,9-10,12-13,15H,1-5,7-8H2
InChIKeyMTOLXIQTPJQJDM-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
(4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 61214210
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913404
(2S)-N-[(3R)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94058656
(2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94058661
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
piperidin-2-yl-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 119339142
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
CID 94171138
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913273
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024

Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 54871703) is piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is O=C(C1CCCCN1)N1CCCC1c1ccsc1.
What is the InChIKey of piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is MTOLXIQTPJQJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-14(12-4-1-2-7-15-12)16-8-3-5-13(16)11-6-9-18-10-11/h6,9-10,12-13,15H,1-5,7-8H2.
What are the key properties of piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 264.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 54871703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).