N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C17H27N3O4S — CID 53278322

IUPACN-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(N(C)CCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H27N3O4S/c1-19(15-4-6-16(24-2)7-5-15)13-10-18-17(21)14-8-11-20(12-9-14)25(3,22)23/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyLBPFSXSQTLOTQH-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.92
Rot. Bonds7

About N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 53278322) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID53278322
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(N(C)CCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H27N3O4S/c1-19(15-4-6-16(24-2)7-5-15)13-10-18-17(21)14-8-11-20(12-9-14)25(3,22)23/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyLBPFSXSQTLOTQH-UHFFFAOYSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 55719644
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 121033606
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 50944837
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 38149414
N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 3230694
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
N-(2,2-dimethylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100799217

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 53278322) is N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(N(C)CCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is LBPFSXSQTLOTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-19(15-4-6-16(24-2)7-5-15)13-10-18-17(21)14-8-11-20(12-9-14)25(3,22)23/h4-7,14H,8-13H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53278322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).