(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C15H22N2OS — CID 104596359

IUPAC(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCC1(C(=O)N2CCCC2c2cccs2)CCCCN1
InChIInChI=1S/C15H22N2OS/c1-15(8-2-3-9-16-15)14(18)17-10-4-6-12(17)13-7-5-11-19-13/h5,7,11-12,16H,2-4,6,8-10H2,1H3
InChIKeyRSGHZYBDOUFZEP-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.94
Rot. Bonds2

About (2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 104596359) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID104596359
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCC1(C(=O)N2CCCC2c2cccs2)CCCCN1
InChIInChI=1S/C15H22N2OS/c1-15(8-2-3-9-16-15)14(18)17-10-4-6-12(17)13-7-5-11-19-13/h5,7,11-12,16H,2-4,6,8-10H2,1H3
InChIKeyRSGHZYBDOUFZEP-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 63131223
(4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 63128526
(4-amino-3-methyloxolan-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 66250434
2-[(3-methylpyrrolidin-3-yl)amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 107424258
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 79853993
(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 79388678
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933
(E)-4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)but-2-enoic acid
CID 54874829
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 104596359) is (2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is CC1(C(=O)N2CCCC2c2cccs2)CCCCN1.
What is the InChIKey of (2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is RSGHZYBDOUFZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-15(8-2-3-9-16-15)14(18)17-10-4-6-12(17)13-7-5-11-19-13/h5,7,11-12,16H,2-4,6,8-10H2,1H3.
What are the key properties of (2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 278.42 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 104596359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).