N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide

C16H25N3O3S — CID 51094004

IUPACN-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C)c1cccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H25N3O3S/c1-17(2)15-7-5-6-13(12-15)16(20)19-10-8-14(9-11-19)18(3)23(4,21)22/h5-7,12,14H,8-11H2,1-4H3
InChIKeyZVPTZBOOAKCXRG-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.25
Rot. Bonds4

About N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 51094004) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID51094004
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C)c1cccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H25N3O3S/c1-17(2)15-7-5-6-13(12-15)16(20)19-10-8-14(9-11-19)18(3)23(4,21)22/h5-7,12,14H,8-11H2,1-4H3
InChIKeyZVPTZBOOAKCXRG-UHFFFAOYSA-N
XLogP1.25
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590000
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734210
[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110744037
2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592529
methyl 1-[3-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 50947988
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 51094004) is N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide is CN(C)c1cccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is ZVPTZBOOAKCXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-17(2)15-7-5-6-13(12-15)16(20)19-10-8-14(9-11-19)18(3)23(4,21)22/h5-7,12,14H,8-11H2,1-4H3.
What are the key properties of N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 51094004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).