1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide

C19H29N3O2 — CID 120667354

IUPAC1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)C(N)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-4-11-21-18(23)16-9-12-22(13-10-16)19(24)17(20)15-7-5-14(2)6-8-15/h5-8,16-17H,3-4,9-13,20H2,1-2H3,(H,21,23)
InChIKeyCYYOYIMNYSETAZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.15
Rot. Bonds6

About 1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide

1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide (PubChem CID 120667354) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide
PubChem CID120667354
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)C(N)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-4-11-21-18(23)16-9-12-22(13-10-16)19(24)17(20)15-7-5-14(2)6-8-15/h5-8,16-17H,3-4,9-13,20H2,1-2H3,(H,21,23)
InChIKeyCYYOYIMNYSETAZ-UHFFFAOYSA-N
XLogP2.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.15
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

1-[3-acetamido-3-(4-methylphenyl)propanoyl]-N-butylpiperidine-4-carboxamide
CID 86985211
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
CID 61163601
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151455
1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119723977
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
1-[(4-methylphenyl)carbamothioyl]-N-pentylpiperidine-4-carboxamide
CID 43076522
2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 122080822
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722
1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145059

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide (CID 120667354) is 1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)C(N)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide?
The InChIKey is CYYOYIMNYSETAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-4-11-21-18(23)16-9-12-22(13-10-16)19(24)17(20)15-7-5-14(2)6-8-15/h5-8,16-17H,3-4,9-13,20H2,1-2H3,(H,21,23).
What are the key properties of 1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide?
1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide is sourced from PubChem (CID 120667354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).