N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C24H31N3O3S — CID 78844516

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCCCN2C(=O)c2cccs2)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O3S/c1-30-19-11-9-18(10-12-19)21(26-13-4-5-14-26)17-25-23(28)20-7-2-3-15-27(20)24(29)22-8-6-16-31-22/h6,8-12,16,20-21H,2-5,7,13-15,17H2,1H3,(H,25,28)
InChIKeyWMMBJWBSSKHJAF-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78844516) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78844516
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCCCN2C(=O)c2cccs2)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O3S/c1-30-19-11-9-18(10-12-19)21(26-13-4-5-14-26)17-25-23(28)20-7-2-3-15-27(20)24(29)22-8-6-16-31-22/h6,8-12,16,20-21H,2-5,7,13-15,17H2,1H3,(H,25,28)
InChIKeyWMMBJWBSSKHJAF-UHFFFAOYSA-N
XLogP3.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844749
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844555
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18152062
N-[1-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47016694
N-(2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78861390
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-[2-(4-ethylpiperazin-1-yl)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876347
N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86920742

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78844516) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is COc1ccc(C(CNC(=O)C2CCCCN2C(=O)c2cccs2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is WMMBJWBSSKHJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-30-19-11-9-18(10-12-19)21(26-13-4-5-14-26)17-25-23(28)20-7-2-3-15-27(20)24(29)22-8-6-16-31-22/h6,8-12,16,20-21H,2-5,7,13-15,17H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78844516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).