N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide

C17H27N3O — CID 83052129

IUPACN-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide
SMILESCCCC1CCCCN1CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C17H27N3O/c1-2-5-16-6-3-4-11-20(16)13-17(21)19-15-9-7-14(12-18)8-10-15/h7-10,16H,2-6,11-13,18H2,1H3,(H,19,21)
InChIKeyWNIPLEUXBFXTIQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.74
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide

N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide (PubChem CID 83052129) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide
PubChem CID83052129
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide
SMILESCCCC1CCCCN1CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C17H27N3O/c1-2-5-16-6-3-4-11-20(16)13-17(21)19-15-9-7-14(12-18)8-10-15/h7-10,16H,2-6,11-13,18H2,1H3,(H,19,21)
InChIKeyWNIPLEUXBFXTIQ-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide
CID 83052500
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 81490451
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 63759527
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
CID 83052120
N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103494265

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide (CID 83052129) is N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide is CCCC1CCCCN1CC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide?
The InChIKey is WNIPLEUXBFXTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-5-16-6-3-4-11-20(16)13-17(21)19-15-9-7-14(12-18)8-10-15/h7-10,16H,2-6,11-13,18H2,1H3,(H,19,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide?
N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide is sourced from PubChem (CID 83052129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).