2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

C18H29N3O — CID 120669404

IUPAC2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCCN2CCCCC2C)cc1
InChIInChI=1S/C18H29N3O/c1-14-7-9-16(10-8-14)17(19)18(22)20-11-5-13-21-12-4-3-6-15(21)2/h7-10,15,17H,3-6,11-13,19H2,1-2H3,(H,20,22)
InChIKeyRVCXWPDSSPACCI-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.38
Rot. Bonds6

About 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 120669404) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID120669404
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCCN2CCCCC2C)cc1
InChIInChI=1S/C18H29N3O/c1-14-7-9-16(10-8-14)17(19)18(22)20-11-5-13-21-12-4-3-6-15(21)2/h7-10,15,17H,3-6,11-13,19H2,1-2H3,(H,20,22)
InChIKeyRVCXWPDSSPACCI-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289585
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide;dihydrochloride
CID 119834632
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
CID 120669272
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 120669404) is 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is Cc1ccc(C(N)C(=O)NCCCN2CCCCC2C)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is RVCXWPDSSPACCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14-7-9-16(10-8-14)17(19)18(22)20-11-5-13-21-12-4-3-6-15(21)2/h7-10,15,17H,3-6,11-13,19H2,1-2H3,(H,20,22).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 303.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 120669404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).