2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide

C18H29N3O — CID 120670008

IUPAC2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
SMILESCCCCN1CCC(NC(=O)C(N)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H29N3O/c1-3-4-11-21-12-9-16(10-13-21)20-18(22)17(19)15-7-5-14(2)6-8-15/h5-8,16-17H,3-4,9-13,19H2,1-2H3,(H,20,22)
InChIKeyARLJONBDZYNKLZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.38
Rot. Bonds6

About 2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide

2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide (PubChem CID 120670008) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
PubChem CID120670008
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
SMILESCCCCN1CCC(NC(=O)C(N)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H29N3O/c1-3-4-11-21-12-9-16(10-13-21)20-18(22)17(19)15-7-5-14(2)6-8-15/h5-8,16-17H,3-4,9-13,19H2,1-2H3,(H,20,22)
InChIKeyARLJONBDZYNKLZ-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

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Related Compounds

2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 106151639
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669508
2-amino-N-(4-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668364
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120669080
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669814
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
CID 61173353

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide (CID 120670008) is 2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide is CCCCN1CCC(NC(=O)C(N)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is ARLJONBDZYNKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-4-11-21-12-9-16(10-13-21)20-18(22)17(19)15-7-5-14(2)6-8-15/h5-8,16-17H,3-4,9-13,19H2,1-2H3,(H,20,22).
What are the key properties of 2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide?
2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)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-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120670008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).