(4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C17H26N2OS — CID 63128526

IUPAC(4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCCCC1(C(=O)N2CCCC2c2cccs2)CCNCC1
InChIInChI=1S/C17H26N2OS/c1-2-7-17(8-10-18-11-9-17)16(20)19-12-3-5-14(19)15-6-4-13-21-15/h4,6,13-14,18H,2-3,5,7-12H2,1H3
InChIKeyNHAKTRGFKCZTLL-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.58
Rot. Bonds4

About (4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 63128526) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is (4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID63128526
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name(4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCCCC1(C(=O)N2CCCC2c2cccs2)CCNCC1
InChIInChI=1S/C17H26N2OS/c1-2-7-17(8-10-18-11-9-17)16(20)19-12-3-5-14(19)15-6-4-13-21-15/h4,6,13-14,18H,2-3,5,7-12H2,1H3
InChIKeyNHAKTRGFKCZTLL-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.58
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
(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 104596359
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
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128449
2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 79853993
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 79388678
3-chloro-2,2-dimethyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 63679619
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-propylpiperidin-4-yl)methanone
CID 63128249

Frequently Asked Questions

What is the IUPAC name of (4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 63128526) is (4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is CCCC1(C(=O)N2CCCC2c2cccs2)CCNCC1.
What is the InChIKey of (4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is NHAKTRGFKCZTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-7-17(8-10-18-11-9-17)16(20)19-12-3-5-14(19)15-6-4-13-21-15/h4,6,13-14,18H,2-3,5,7-12H2,1H3.
What are the key properties of (4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 306.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63128526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).