[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone

C25H28N4O — CID 22266022

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone
SMILESNCc1cccc(C2CCN(C(=O)c3cccc(NCc4ccccn4)c3)CC2)c1
InChIInChI=1S/C25H28N4O/c26-17-19-5-3-6-21(15-19)20-10-13-29(14-11-20)25(30)22-7-4-9-23(16-22)28-18-24-8-1-2-12-27-24/h1-9,12,15-16,20,28H,10-11,13-14,17-18,26H2
InChIKeyGNGYZIJTZKBPBA-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.17
Rot. Bonds6

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone (PubChem CID 22266022) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone
PubChem CID22266022
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone
SMILESNCc1cccc(C2CCN(C(=O)c3cccc(NCc4ccccn4)c3)CC2)c1
InChIInChI=1S/C25H28N4O/c26-17-19-5-3-6-21(15-19)20-10-13-29(14-11-20)25(30)22-7-4-9-23(16-22)28-18-24-8-1-2-12-27-24/h1-9,12,15-16,20,28H,10-11,13-14,17-18,26H2
InChIKeyGNGYZIJTZKBPBA-UHFFFAOYSA-N
XLogP4.17
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone with MolForge

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Related Compounds

(4-methylazepan-1-yl)-[3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 126820564
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]anilino]-1-[1-(hydroxymethoxy)cyclobutyl]ethanone
CID 123649664
1-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-3-(2-oxocyclobutyl)urea
CID 67115231
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[(4-bromophenyl)methylamino]-3-pyridinyl]methanone;trihydrochloride
CID 22266133
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
(1R,2R,4S,5S,6R)-N-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-5,6-dihydroxybicyclo[2.2.2]octane-2-carboxamide
CID 67115205
2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone
CID 22266044
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-[2-(6-amino-3-pyridinyl)ethynyl]phenyl]methanone;hydrochloride
CID 22266117

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone (CID 22266022) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone is NCc1cccc(C2CCN(C(=O)c3cccc(NCc4ccccn4)c3)CC2)c1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone?
The InChIKey is GNGYZIJTZKBPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c26-17-19-5-3-6-21(15-19)20-10-13-29(14-11-20)25(30)22-7-4-9-23(16-22)28-18-24-8-1-2-12-27-24/h1-9,12,15-16,20,28H,10-11,13-14,17-18,26H2.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone has a molecular weight of 400.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 22266022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).