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

C14H21N3O — CID 102814279

IUPACN-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cccc(CN)c2)CC1
InChIInChI=1S/C14H21N3O/c1-11(18)16-13-5-7-17(8-6-13)14-4-2-3-12(9-14)10-15/h2-4,9,13H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyLXRYUPFLRQLWOM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.25
Rot. Bonds3

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

N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide (PubChem CID 102814279) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide
PubChem CID102814279
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cccc(CN)c2)CC1
InChIInChI=1S/C14H21N3O/c1-11(18)16-13-5-7-17(8-6-13)14-4-2-3-12(9-14)10-15/h2-4,9,13H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyLXRYUPFLRQLWOM-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
CID 102814059
1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea
CID 48926076
N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 174378709
N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
CID 30897505
1-(3-ethylphenyl)-N-methylpiperidin-4-amine
CID 43315435
[3-(4-tert-butylazepan-1-yl)phenyl]methanamine
CID 102814062
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
[3-(4-propylazepan-1-yl)phenyl]methanamine
CID 102814056
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
1-[3-(methoxymethyl)phenyl]-N-methylpiperidin-4-amine
CID 54965277

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide (CID 102814279) is N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2cccc(CN)c2)CC1.
What is the InChIKey of N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide?
The InChIKey is LXRYUPFLRQLWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(18)16-13-5-7-17(8-6-13)14-4-2-3-12(9-14)10-15/h2-4,9,13H,5-8,10,15H2,1H3,(H,16,18).
What are the key properties of N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide?
N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 102814279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).