N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride

C14H28ClN3O3S — CID 119944165

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2(C)CCCNC2)CC1.Cl
InChIInChI=1S/C14H27N3O3S.ClH/c1-3-21(19,20)17-9-5-12(6-10-17)16-13(18)14(2)7-4-8-15-11-14;/h12,15H,3-11H2,1-2H3,(H,16,18);1H
InChIKeyLZRNGOCANFMNFP-UHFFFAOYSA-N
MW353.92 g/mol
LogP0.73
Rot. Bonds4

About N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride

N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119944165) has the molecular formula C14H28ClN3O3S and a molecular weight of 353.92 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119944165
Molecular FormulaC14H28ClN3O3S
Molecular Weight353.92 g/mol
Exact Mass353.15
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2(C)CCCNC2)CC1.Cl
InChIInChI=1S/C14H27N3O3S.ClH/c1-3-21(19,20)17-9-5-12(6-10-17)16-13(18)14(2)7-4-8-15-11-14;/h12,15H,3-11H2,1-2H3,(H,16,18);1H
InChIKeyLZRNGOCANFMNFP-UHFFFAOYSA-N
XLogP0.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide
CID 63130917
3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide
CID 63135348
3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 63130240
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946069
N-(3,3-dimethylcyclopentyl)-3-methylpiperidine-3-carboxamide
CID 115977020
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943977
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide
CID 82758016
(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369661
(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369662
N-[1-(3-methylpiperidine-3-carbonyl)piperidin-4-yl]butanamide
CID 63131758
3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119944165) is N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride is CCS(=O)(=O)N1CCC(NC(=O)C2(C)CCCNC2)CC1.Cl.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is LZRNGOCANFMNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S.ClH/c1-3-21(19,20)17-9-5-12(6-10-17)16-13(18)14(2)7-4-8-15-11-14;/h12,15H,3-11H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 353.92 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119944165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).