N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide

C14H26N2O4S — CID 167520484

IUPACN-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide
SMILESCCC(=O)NS(=O)(=O)CC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C14H26N2O4S/c1-4-14(18)15-21(19,20)10-12-5-7-16(8-6-12)9-13(17)11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)
InChIKeyATQIFBDZKUOIFS-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.78
Rot. Bonds7

About N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide

N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide (PubChem CID 167520484) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide
PubChem CID167520484
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide
SMILESCCC(=O)NS(=O)(=O)CC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C14H26N2O4S/c1-4-14(18)15-21(19,20)10-12-5-7-16(8-6-12)9-13(17)11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)
InChIKeyATQIFBDZKUOIFS-UHFFFAOYSA-N
XLogP0.78
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide
CID 164535755
3-methyl-1-[4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]piperidin-1-yl]pentan-2-one
CID 176575579
3-methyl-1-[4-[[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one
CID 177119154
3-methyl-1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]butan-2-one
CID 172604820
1-[4-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-methylbutan-2-one
CID 176576642
N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
CID 79396383
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094
3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one
CID 171800014
1-cyclopropyl-2-(4-ethylpiperidin-1-yl)ethanone
CID 63913438
1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one
CID 176576638
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide?
The IUPAC name of N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide (CID 167520484) is N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide.
What is the SMILES notation for N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide?
The canonical SMILES for N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide is CCC(=O)NS(=O)(=O)CC1CCN(CC(=O)C(C)C)CC1.
What is the InChIKey of N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide?
The InChIKey is ATQIFBDZKUOIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-4-14(18)15-21(19,20)10-12-5-7-16(8-6-12)9-13(17)11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18).
What are the key properties of N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide?
N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide has a molecular weight of 318.44 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide is sourced from PubChem (CID 167520484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).