6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide

C23H30N4O2 — CID 42849641

IUPAC6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(C2CCC(C(=O)NCc3cccnc3)CN2C(=O)NC(C)C)c1
InChIInChI=1S/C23H30N4O2/c1-16(2)26-23(29)27-15-20(22(28)25-14-18-7-5-11-24-13-18)9-10-21(27)19-8-4-6-17(3)12-19/h4-8,11-13,16,20-21H,9-10,14-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyYYCYAMHROSBGQD-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.58
Rot. Bonds5

About 6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide

6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 42849641) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID42849641
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(C2CCC(C(=O)NCc3cccnc3)CN2C(=O)NC(C)C)c1
InChIInChI=1S/C23H30N4O2/c1-16(2)26-23(29)27-15-20(22(28)25-14-18-7-5-11-24-13-18)9-10-21(27)19-8-4-6-17(3)12-19/h4-8,11-13,16,20-21H,9-10,14-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyYYCYAMHROSBGQD-UHFFFAOYSA-N
XLogP3.58
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)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)-1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 92996998
(3R,6R)-1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 92996997
(2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 93328379
(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595
(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
1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 46041651
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328301
6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46065283
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46041524
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
(3S,6R)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92996775

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide (CID 42849641) is 6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide is Cc1cccc(C2CCC(C(=O)NCc3cccnc3)CN2C(=O)NC(C)C)c1.
What is the InChIKey of 6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is YYCYAMHROSBGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16(2)26-23(29)27-15-20(22(28)25-14-18-7-5-11-24-13-18)9-10-21(27)19-8-4-6-17(3)12-19/h4-8,11-13,16,20-21H,9-10,14-15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 42849641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).