4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide

C16H23N3O — CID 43711761

IUPAC4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1N
InChIInChI=1S/C16H23N3O/c1-11-10-12(2-5-15(11)17)16(20)18-13-6-8-19(9-7-13)14-3-4-14/h2,5,10,13-14H,3-4,6-9,17H2,1H3,(H,18,20)
InChIKeySHNCWMXWFPSLDI-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.93
Rot. Bonds3

About 4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide

4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide (PubChem CID 43711761) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
PubChem CID43711761
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1N
InChIInChI=1S/C16H23N3O/c1-11-10-12(2-5-15(11)17)16(20)18-13-6-8-19(9-7-13)14-3-4-14/h2,5,10,13-14H,3-4,6-9,17H2,1H3,(H,18,20)
InChIKeySHNCWMXWFPSLDI-UHFFFAOYSA-N
XLogP1.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.93
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

4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
N-(1-cyclopropylpiperidin-4-yl)-4-iodobenzamide
CID 60730497
4-amino-N-(4-piperidin-1-ylcyclohexyl)benzamide
CID 143211763
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
CID 120641743
2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 79720090
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide (CID 43711761) is 4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide is Cc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1N.
What is the InChIKey of 4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide?
The InChIKey is SHNCWMXWFPSLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-10-12(2-5-15(11)17)16(20)18-13-6-8-19(9-7-13)14-3-4-14/h2,5,10,13-14H,3-4,6-9,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide?
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide has a molecular weight of 273.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide is sourced from PubChem (CID 43711761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).