2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

C16H23N3O2 — CID 61213391

IUPAC2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2ccccc2N)CC1
InChIInChI=1S/C16H23N3O2/c1-11(2)16(21)19-9-7-12(8-10-19)18-15(20)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20)
InChIKeySWEPETQZZZOPFC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds3

About 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (PubChem CID 61213391) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
PubChem CID61213391
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2ccccc2N)CC1
InChIInChI=1S/C16H23N3O2/c1-11(2)16(21)19-9-7-12(8-10-19)18-15(20)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20)
InChIKeySWEPETQZZZOPFC-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
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

2-hydroxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 108551446
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
2-benzyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542896
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119944177
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
2-(4-methoxyanilino)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 55718269
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 81230031
2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 119945821
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119945642
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119721458

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (CID 61213391) is 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is CC(C)C(=O)N1CCC(NC(=O)c2ccccc2N)CC1.
What is the InChIKey of 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The InChIKey is SWEPETQZZZOPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)16(21)19-9-7-12(8-10-19)18-15(20)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 61213391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).