N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide

C19H31N3O3S — CID 55455065

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C19H31N3O3S/c1-5-21(15-16-7-9-18(10-8-16)20(3)4)19(23)17-11-13-22(14-12-17)26(24,25)6-2/h7-10,17H,5-6,11-15H2,1-4H3
InChIKeyWNPATMVMIQDCHK-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.16
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 55455065) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID55455065
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C19H31N3O3S/c1-5-21(15-16-7-9-18(10-8-16)20(3)4)19(23)17-11-13-22(14-12-17)26(24,25)6-2/h7-10,17H,5-6,11-15H2,1-4H3
InChIKeyWNPATMVMIQDCHK-UHFFFAOYSA-N
XLogP2.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 36665418
N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 60939526
1-benzylsulfonyl-N-ethyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55690537
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide
CID 71737584
1-ethylsulfonyl-N,N-dipropylpiperidine-4-carboxamide
CID 113005924
N-[[4-(dimethylamino)phenyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethylpiperidine-3-carboxamide
CID 55455255
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 86865848
N-[[4-(dimethylamino)phenyl]methyl]-1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 86889050

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide (CID 55455065) is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is WNPATMVMIQDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-5-21(15-16-7-9-18(10-8-16)20(3)4)19(23)17-11-13-22(14-12-17)26(24,25)6-2/h7-10,17H,5-6,11-15H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55455065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).