N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide

C15H23N3O — CID 16779543

IUPACN-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C15H23N3O/c1-12-3-2-8-18(10-12)11-15(19)17-14-6-4-13(9-16)5-7-14/h4-7,12H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyVAGXNLNSMLRFPC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.82
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide

N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 16779543) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID16779543
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C15H23N3O/c1-12-3-2-8-18(10-12)11-15(19)17-14-6-4-13(9-16)5-7-14/h4-7,12H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyVAGXNLNSMLRFPC-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109006515
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006523
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 1152741
N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
CID 65283923

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide (CID 16779543) is N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)Nc2ccc(CN)cc2)C1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is VAGXNLNSMLRFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-3-2-8-18(10-12)11-15(19)17-14-6-4-13(9-16)5-7-14/h4-7,12H,2-3,8-11,16H2,1H3,(H,17,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide?
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.82, 4 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-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 16779543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).