3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride

C17H27ClN4O2 — CID 119501337

IUPAC3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCNCCNC(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-13-5-3-7-15(11-13)20-17(23)21-10-4-6-14(12-21)16(22)19-9-8-18-2;/h3,5,7,11,14,18H,4,6,8-10,12H2,1-2H3,(H,19,22)(H,20,23);1H
InChIKeyNSIYPKDRKFOAKP-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.00
Rot. Bonds5

About 3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride

3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 119501337) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
PubChem CID119501337
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCNCCNC(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-13-5-3-7-15(11-13)20-17(23)21-10-4-6-14(12-21)16(22)19-9-8-18-2;/h3,5,7,11,14,18H,4,6,8-10,12H2,1-2H3,(H,19,22)(H,20,23);1H
InChIKeyNSIYPKDRKFOAKP-UHFFFAOYSA-N
XLogP2.00
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55904439
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide
CID 55836349
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55912491
1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 55820207
3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817620
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride (CID 119501337) is 3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride is CNCCNC(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1.Cl.
What is the InChIKey of 3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is NSIYPKDRKFOAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-13-5-3-7-15(11-13)20-17(23)21-10-4-6-14(12-21)16(22)19-9-8-18-2;/h3,5,7,11,14,18H,4,6,8-10,12H2,1-2H3,(H,19,22)(H,20,23);1H.
What are the key properties of 3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride?
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119501337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).