N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide

C17H27N3O — CID 82224642

IUPACN-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
SMILESCC1CCN(C(C(=O)Nc2cccc(N)c2)C(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-12(2)16(20-9-7-13(3)8-10-20)17(21)19-15-6-4-5-14(18)11-15/h4-6,11-13,16H,7-10,18H2,1-3H3,(H,19,21)
InChIKeyCRGQDNFIMXVXHO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.96
Rot. Bonds4

About N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide

N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide (PubChem CID 82224642) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
PubChem CID82224642
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
SMILESCC1CCN(C(C(=O)Nc2cccc(N)c2)C(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-12(2)16(20-9-7-13(3)8-10-20)17(21)19-15-6-4-5-14(18)11-15/h4-6,11-13,16H,7-10,18H2,1-3H3,(H,19,21)
InChIKeyCRGQDNFIMXVXHO-UHFFFAOYSA-N
XLogP2.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.96
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

N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
N-(3-aminophenyl)-2-(1,4-diazepan-1-yl)-3-methylbutanamide
CID 82224664
N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224757
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
3-methyl-2-(4-methylpiperidin-1-yl)butanehydrazide
CID 43906589
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide
CID 64730380
N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581148
N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide
CID 82031832

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide?
The IUPAC name of N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide (CID 82224642) is N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide?
The canonical SMILES for N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide is CC1CCN(C(C(=O)Nc2cccc(N)c2)C(C)C)CC1.
What is the InChIKey of N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide?
The InChIKey is CRGQDNFIMXVXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)16(20-9-7-13(3)8-10-20)17(21)19-15-6-4-5-14(18)11-15/h4-6,11-13,16H,7-10,18H2,1-3H3,(H,19,21).
What are the key properties of N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide?
N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide is sourced from PubChem (CID 82224642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).