N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide

C16H25N3O — CID 63596528

IUPACN-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-12(17)15-7-9-19(10-8-15)11-14-3-5-16(6-4-14)18-13(2)20/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyYUAOAIFSOGSMMZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds4

About N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 63596528) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID63596528
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-12(17)15-7-9-19(10-8-15)11-14-3-5-16(6-4-14)18-13(2)20/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyYUAOAIFSOGSMMZ-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 115314944
4-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]benzamide
CID 112630317
N-[4-[[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 45183025
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 42962486
3-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbutanamide;trihydrochloride
CID 120504393
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide (CID 63596528) is N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC(C(C)N)CC2)cc1.
What is the InChIKey of N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is YUAOAIFSOGSMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(17)15-7-9-19(10-8-15)11-14-3-5-16(6-4-14)18-13(2)20/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 63596528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).