N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide

C17H27N3O — CID 60939526

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCNCC1
InChIInChI=1S/C17H27N3O/c1-4-20(17(21)15-9-11-18-12-10-15)13-14-5-7-16(8-6-14)19(2)3/h5-8,15,18H,4,9-13H2,1-3H3
InChIKeyZHWQQKXYPDRVAA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.10
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 60939526) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
PubChem CID60939526
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCNCC1
InChIInChI=1S/C17H27N3O/c1-4-20(17(21)15-9-11-18-12-10-15)13-14-5-7-16(8-6-14)19(2)3/h5-8,15,18H,4,9-13H2,1-3H3
InChIKeyZHWQQKXYPDRVAA-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 60946411
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide
CID 55455065
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 119743617
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 61365242
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 60938684
N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 162535537
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide (CID 60939526) is N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCNCC1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is ZHWQQKXYPDRVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20(17(21)15-9-11-18-12-10-15)13-14-5-7-16(8-6-14)19(2)3/h5-8,15,18H,4,9-13H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 60939526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).