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

C14H21N3O — CID 68551320

IUPACN-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1N1CCC(CN)CC1
InChIInChI=1S/C14H21N3O/c1-11(18)16-13-4-2-3-5-14(13)17-8-6-12(10-15)7-9-17/h2-5,12H,6-10,15H2,1H3,(H,16,18)
InChIKeyHICVKGKQOVBGFO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.82
Rot. Bonds3

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

N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide (PubChem CID 68551320) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
PubChem CID68551320
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1N1CCC(CN)CC1
InChIInChI=1S/C14H21N3O/c1-11(18)16-13-4-2-3-5-14(13)17-8-6-12(10-15)7-9-17/h2-5,12H,6-10,15H2,1H3,(H,16,18)
InChIKeyHICVKGKQOVBGFO-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide
CID 175142313
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide
CID 166414486
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-3-propan-2-ylurea
CID 100665127
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332404
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 111537095
3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide
CID 110016310
N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide
CID 88926400
1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870604
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119859815
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4-dimethylpentanamide
CID 110929437
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide (CID 68551320) is N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccccc1N1CCC(CN)CC1.
What is the InChIKey of N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide?
The InChIKey is HICVKGKQOVBGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(18)16-13-4-2-3-5-14(13)17-8-6-12(10-15)7-9-17/h2-5,12H,6-10,15H2,1H3,(H,16,18).
What are the key properties of N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide?
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 68551320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).