1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide

C20H30N4O2 — CID 120602193

IUPAC1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NC3CCNC(C)C3)C2)c1
InChIInChI=1S/C20H30N4O2/c1-14-5-3-7-17(11-14)23-20(26)24-10-4-6-16(13-24)19(25)22-18-8-9-21-15(2)12-18/h3,5,7,11,15-16,18,21H,4,6,8-10,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMUEWOIDDIIIRHT-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.50
Rot. Bonds3

About 1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide

1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide (PubChem CID 120602193) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide
PubChem CID120602193
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NC3CCNC(C)C3)C2)c1
InChIInChI=1S/C20H30N4O2/c1-14-5-3-7-17(11-14)23-20(26)24-10-4-6-16(13-24)19(25)22-18-8-9-21-15(2)12-18/h3,5,7,11,15-16,18,21H,4,6,8-10,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMUEWOIDDIIIRHT-UHFFFAOYSA-N
XLogP2.50
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120599279
N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 120599408
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide
CID 55837238
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide (CID 120602193) is 1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)NC3CCNC(C)C3)C2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide?
The InChIKey is MUEWOIDDIIIRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14-5-3-7-17(11-14)23-20(26)24-10-4-6-16(13-24)19(25)22-18-8-9-21-15(2)12-18/h3,5,7,11,15-16,18,21H,4,6,8-10,12-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide?
1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 120602193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).