5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide

C18H29N3O — CID 120645327

IUPAC5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C18H29N3O/c1-13-6-5-9-21(11-13)18(3,4)12-20-17(22)16-10-15(19)8-7-14(16)2/h7-8,10,13H,5-6,9,11-12,19H2,1-4H3,(H,20,22)
InChIKeyPCRQDUJRDYNJIE-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.82
Rot. Bonds4

About 5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide

5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 120645327) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
PubChem CID120645327
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C18H29N3O/c1-13-6-5-9-21(11-13)18(3,4)12-20-17(22)16-10-15(19)8-7-14(16)2/h7-8,10,13H,5-6,9,11-12,19H2,1-4H3,(H,20,22)
InChIKeyPCRQDUJRDYNJIE-UHFFFAOYSA-N
XLogP2.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120646712
methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
CID 120633675
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 120612697
4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 60569241
2-(2-aminoethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645328
N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 95247386
5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 120645515
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide
CID 60568533

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide (CID 120645327) is 5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide is Cc1ccc(N)cc1C(=O)NCC(C)(C)N1CCCC(C)C1.
What is the InChIKey of 5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is PCRQDUJRDYNJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13-6-5-9-21(11-13)18(3,4)12-20-17(22)16-10-15(19)8-7-14(16)2/h7-8,10,13H,5-6,9,11-12,19H2,1-4H3,(H,20,22).
What are the key properties of 5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide?
5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 303.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 120645327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).