3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide

C24H31N3O2 — CID 42849636

IUPAC3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)N(C)Cc2ccccc2)CCC1c1cccc(C)c1
InChIInChI=1S/C24H31N3O2/c1-4-25-24(29)27-17-21(13-14-22(27)20-12-8-9-18(2)15-20)23(28)26(3)16-19-10-6-5-7-11-19/h5-12,15,21-22H,4,13-14,16-17H2,1-3H3,(H,25,29)
InChIKeyFMTPIHBYAUNIRL-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.14
Rot. Bonds5

About 3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide

3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 42849636) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID42849636
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)N(C)Cc2ccccc2)CCC1c1cccc(C)c1
InChIInChI=1S/C24H31N3O2/c1-4-25-24(29)27-17-21(13-14-22(27)20-12-8-9-18(2)15-20)23(28)26(3)16-19-10-6-5-7-11-19/h5-12,15,21-22H,4,13-14,16-17H2,1-3H3,(H,25,29)
InChIKeyFMTPIHBYAUNIRL-UHFFFAOYSA-N
XLogP4.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide 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

(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595
1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42868554
N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 71955058
1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849629
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
(3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 93000774
(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93001712
6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 46071991
3-N-(1,3-benzodioxol-5-ylmethyl)-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849662
1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109147881
6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 42849641

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 42849636) is 3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide is CCNC(=O)N1CC(C(=O)N(C)Cc2ccccc2)CCC1c1cccc(C)c1.
What is the InChIKey of 3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is FMTPIHBYAUNIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-25-24(29)27-17-21(13-14-22(27)20-12-8-9-18(2)15-20)23(28)26(3)16-19-10-6-5-7-11-19/h5-12,15,21-22H,4,13-14,16-17H2,1-3H3,(H,25,29).
What are the key properties of 3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide?
3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 42849636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).