N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide

C18H34N4O4S — CID 55447192

IUPACN,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N1CCN(CC(=O)N(CC)CC)CC1
InChIInChI=1S/C18H34N4O4S/c1-4-14-27(25,26)22-9-7-8-16(22)18(24)21-12-10-19(11-13-21)15-17(23)20(5-2)6-3/h16H,4-15H2,1-3H3
InChIKeyOKDWAGGNATURRO-UHFFFAOYSA-N
MW402.56 g/mol
LogP0.20
Rot. Bonds8

About N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide

N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55447192) has the molecular formula C18H34N4O4S and a molecular weight of 402.56 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID55447192
Molecular FormulaC18H34N4O4S
Molecular Weight402.56 g/mol
Exact Mass402.23
IUPAC NameN,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N1CCN(CC(=O)N(CC)CC)CC1
InChIInChI=1S/C18H34N4O4S/c1-4-14-27(25,26)22-9-7-8-16(22)18(24)21-12-10-19(11-13-21)15-17(23)20(5-2)6-3/h16H,4-15H2,1-3H3
InChIKeyOKDWAGGNATURRO-UHFFFAOYSA-N
XLogP0.20
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 55563956
N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55992321
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 114680203
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 55431186
2-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55993696
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55607635
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
2-[4-(1-methylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetic acid
CID 43521379
(3aS,6aR)-2-(1-propylsulfonylpiperidine-2-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683356

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide (CID 55447192) is N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide is CCCS(=O)(=O)N1CCCC1C(=O)N1CCN(CC(=O)N(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is OKDWAGGNATURRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4S/c1-4-14-27(25,26)22-9-7-8-16(22)18(24)21-12-10-19(11-13-21)15-17(23)20(5-2)6-3/h16H,4-15H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 402.56 g/mol, XLogP of 0.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55447192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).