N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide

C18H30N4O3S — CID 113141293

IUPACN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide
SMILESCCCCCN(CCC(=O)N1CCN(c2ccccn2)CC1)S(C)(=O)=O
InChIInChI=1S/C18H30N4O3S/c1-3-4-7-11-22(26(2,24)25)12-9-18(23)21-15-13-20(14-16-21)17-8-5-6-10-19-17/h5-6,8,10H,3-4,7,9,11-16H2,1-2H3
InChIKeyXYANGSXGCQQYKZ-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.57
Rot. Bonds9

About N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide

N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide (PubChem CID 113141293) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide
PubChem CID113141293
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC NameN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide
SMILESCCCCCN(CCC(=O)N1CCN(c2ccccn2)CC1)S(C)(=O)=O
InChIInChI=1S/C18H30N4O3S/c1-3-4-7-11-22(26(2,24)25)12-9-18(23)21-15-13-20(14-16-21)17-8-5-6-10-19-17/h5-6,8,10H,3-4,7,9,11-16H2,1-2H3
InChIKeyXYANGSXGCQQYKZ-UHFFFAOYSA-N
XLogP1.57
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide
CID 113138133
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 51100868
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117514
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220173
2-butyl-1-(4-pyridin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 10266982
N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
CID 113149044
3-(N-ethyl-2,4-dimethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55864955
3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide?
The IUPAC name of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide (CID 113141293) is N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide.
What is the SMILES notation for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide?
The canonical SMILES for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide is CCCCCN(CCC(=O)N1CCN(c2ccccn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide?
The InChIKey is XYANGSXGCQQYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-3-4-7-11-22(26(2,24)25)12-9-18(23)21-15-13-20(14-16-21)17-8-5-6-10-19-17/h5-6,8,10H,3-4,7,9,11-16H2,1-2H3.
What are the key properties of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide?
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide has a molecular weight of 382.53 g/mol, XLogP of 1.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide is sourced from PubChem (CID 113141293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).