3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride

C18H29ClN4O2 — CID 120568216

IUPAC3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)C1CCCN(C(=O)NCC(C)C)C1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-12(2)10-20-18(24)22-8-4-5-14(11-22)17(23)21-16-9-15(19)7-6-13(16)3;/h6-7,9,12,14H,4-5,8,10-11,19H2,1-3H3,(H,20,24)(H,21,23);1H
InChIKeyHYTWODNURVVGBW-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.02
Rot. Bonds4

About 3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride

3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 120568216) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
PubChem CID120568216
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)C1CCCN(C(=O)NCC(C)C)C1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-12(2)10-20-18(24)22-8-4-5-14(11-22)17(23)21-16-9-15(19)7-6-13(16)3;/h6-7,9,12,14H,4-5,8,10-11,19H2,1-3H3,(H,20,24)(H,21,23);1H
InChIKeyHYTWODNURVVGBW-UHFFFAOYSA-N
XLogP3.02
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 120568574
N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide
CID 120568749
3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479
(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95981578
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119526290
(3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95775889
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride (CID 120568216) is 3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride is Cc1ccc(N)cc1NC(=O)C1CCCN(C(=O)NCC(C)C)C1.Cl.
What is the InChIKey of 3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is HYTWODNURVVGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-12(2)10-20-18(24)22-8-4-5-14(11-22)17(23)21-16-9-15(19)7-6-13(16)3;/h6-7,9,12,14H,4-5,8,10-11,19H2,1-3H3,(H,20,24)(H,21,23);1H.
What are the key properties of 3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride?
3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 120568216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).