N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide

C17H34N4O3S — CID 86823860

IUPACN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCN1CCN(CC(C)CNC(=O)C2CCCCN2S(C)(=O)=O)CC1
InChIInChI=1S/C17H34N4O3S/c1-4-19-9-11-20(12-10-19)14-15(2)13-18-17(22)16-7-5-6-8-21(16)25(3,23)24/h15-16H,4-14H2,1-3H3,(H,18,22)
InChIKeyAZSPPNDBPNTFAH-UHFFFAOYSA-N
MW374.55 g/mol
LogP0.19
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 86823860) has the molecular formula C17H34N4O3S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID86823860
Molecular FormulaC17H34N4O3S
Molecular Weight374.55 g/mol
Exact Mass374.24
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCN1CCN(CC(C)CNC(=O)C2CCCCN2S(C)(=O)=O)CC1
InChIInChI=1S/C17H34N4O3S/c1-4-19-9-11-20(12-10-19)14-15(2)13-18-17(22)16-7-5-6-8-21(16)25(3,23)24/h15-16H,4-14H2,1-3H3,(H,18,22)
InChIKeyAZSPPNDBPNTFAH-UHFFFAOYSA-N
XLogP0.19
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3243710
N-(1-ethylpiperidin-4-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
CID 51107039
N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 71897278
N-(2-(2,6-dimethylpiperidin-1-yl)ethyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 4419966
9-[4-(1-Methylpiperidin-4-yl)piperazine-1-carbonyl]-5-methylsulfonyl-1,5-diazacycloundecan-2-one
CID 110199831
Sdccgsbi-0662580.P001
CID 134788709
N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide
CID 75440326
N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 119324791
N-[1-(piperidine-2-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119324792
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3446298
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3525806
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 3543761

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 86823860) is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide is CCN1CCN(CC(C)CNC(=O)C2CCCCN2S(C)(=O)=O)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is AZSPPNDBPNTFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3S/c1-4-19-9-11-20(12-10-19)14-15(2)13-18-17(22)16-7-5-6-8-21(16)25(3,23)24/h15-16H,4-14H2,1-3H3,(H,18,22).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 374.55 g/mol, XLogP of 0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 86823860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).