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

C15H22N2OS — CID 63131223

IUPAC(3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCC1(C(=O)N2CCCC2c2cccs2)CCCNC1
InChIInChI=1S/C15H22N2OS/c1-15(7-4-8-16-11-15)14(18)17-9-2-5-12(17)13-6-3-10-19-13/h3,6,10,12,16H,2,4-5,7-9,11H2,1H3
InChIKeyKRUBSAUDPJDVQD-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.80
Rot. Bonds2

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

(3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 63131223) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID63131223
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCC1(C(=O)N2CCCC2c2cccs2)CCCNC1
InChIInChI=1S/C15H22N2OS/c1-15(7-4-8-16-11-15)14(18)17-9-2-5-12(17)13-6-3-10-19-13/h3,6,10,12,16H,2,4-5,7-9,11H2,1H3
InChIKeyKRUBSAUDPJDVQD-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 104596359
(4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 63128526
2-[(3-methylpyrrolidin-3-yl)amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 107424258
[2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 63131937
(4-amino-3-methyloxolan-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 66250434
(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 79388678
(E)-4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)but-2-enoic acid
CID 54874829
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 79853993
1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride
CID 120897555
1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116569436
3-chloro-2,2-dimethyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 63679619

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 63131223) is (3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is CC1(C(=O)N2CCCC2c2cccs2)CCCNC1.
What is the InChIKey of (3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is KRUBSAUDPJDVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-15(7-4-8-16-11-15)14(18)17-9-2-5-12(17)13-6-3-10-19-13/h3,6,10,12,16H,2,4-5,7-9,11H2,1H3.
What are the key properties of (3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 278.42 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63131223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).