1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide

C23H30N4O2 — CID 126475356

IUPAC1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide
SMILESCCNC(=O)N1CCC(C(=O)NC(c2ccccc2C)c2ncccc2C)CC1
InChIInChI=1S/C23H30N4O2/c1-4-24-23(29)27-14-11-18(12-15-27)22(28)26-21(19-10-6-5-8-16(19)2)20-17(3)9-7-13-25-20/h5-10,13,18,21H,4,11-12,14-15H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyNEHFXFWPTNHNEA-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.35
Rot. Bonds5

About 1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide

1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 126475356) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID126475356
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide
SMILESCCNC(=O)N1CCC(C(=O)NC(c2ccccc2C)c2ncccc2C)CC1
InChIInChI=1S/C23H30N4O2/c1-4-24-23(29)27-14-11-18(12-15-27)22(28)26-21(19-10-6-5-8-16(19)2)20-17(3)9-7-13-25-20/h5-10,13,18,21H,4,11-12,14-15H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyNEHFXFWPTNHNEA-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-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

1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 126471693
1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126472444
1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126473277
1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474502
4-N-ethyl-1-N-(quinolin-8-ylmethyl)piperidine-1,4-dicarboxamide
CID 166186194
1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide
CID 126475651
4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 86998780
N-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433207
1-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3568468
4-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[(2-methylbenzoyl)amino]-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93200287
ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 35939336
N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433196

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide (CID 126475356) is 1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide is CCNC(=O)N1CCC(C(=O)NC(c2ccccc2C)c2ncccc2C)CC1.
What is the InChIKey of 1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is NEHFXFWPTNHNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-24-23(29)27-14-11-18(12-15-27)22(28)26-21(19-10-6-5-8-16(19)2)20-17(3)9-7-13-25-20/h5-10,13,18,21H,4,11-12,14-15H2,1-3H3,(H,24,29)(H,26,28).
What are the key properties of 1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 126475356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).