N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide

C18H30N4O5S — CID 55992321

IUPACN-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1
InChIInChI=1S/C18H30N4O5S/c1-2-13-28(26,27)22-8-4-3-5-15(22)17(24)20-9-11-21(12-10-20)18(25)16(23)19-14-6-7-14/h14-15H,2-13H2,1H3,(H,19,23)
InChIKeyBBARFGBEKUJVDF-UHFFFAOYSA-N
MW414.53 g/mol
LogP-0.47
Rot. Bonds5

About N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide

N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55992321) has the molecular formula C18H30N4O5S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID55992321
Molecular FormulaC18H30N4O5S
Molecular Weight414.53 g/mol
Exact Mass414.19
IUPAC NameN-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1
InChIInChI=1S/C18H30N4O5S/c1-2-13-28(26,27)22-8-4-3-5-15(22)17(24)20-9-11-21(12-10-20)18(25)16(23)19-14-6-7-14/h14-15H,2-13H2,1H3,(H,19,23)
InChIKeyBBARFGBEKUJVDF-UHFFFAOYSA-N
XLogP-0.47
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
2-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55993696
N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55447192
N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 55800250
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 55563956
3-methyl-1-(1-propylsulfonylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256351
(2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone
CID 87046016
1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55991046
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
(4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone
CID 55996730
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 114680203

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide (CID 55992321) is N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide is CCCS(=O)(=O)N1CCCCC1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is BBARFGBEKUJVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O5S/c1-2-13-28(26,27)22-8-4-3-5-15(22)17(24)20-9-11-21(12-10-20)18(25)16(23)19-14-6-7-14/h14-15H,2-13H2,1H3,(H,19,23).
What are the key properties of N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 414.53 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55992321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).