1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone

C23H31N3O — CID 168964990

IUPAC1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CNCCC(N)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C23H31N3O/c1-18(27)26-14-11-19(12-15-26)17-25-13-10-23(24)22-9-5-8-21(16-22)20-6-3-2-4-7-20/h2-9,16,19,23,25H,10-15,17,24H2,1H3
InChIKeyJLAMMUWKTUNZFC-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.59
Rot. Bonds7

About 1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone

1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone (PubChem CID 168964990) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone
PubChem CID168964990
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CNCCC(N)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C23H31N3O/c1-18(27)26-14-11-19(12-15-26)17-25-13-10-23(24)22-9-5-8-21(16-22)20-6-3-2-4-7-20/h2-9,16,19,23,25H,10-15,17,24H2,1H3
InChIKeyJLAMMUWKTUNZFC-UHFFFAOYSA-N
XLogP3.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-acetylpiperidin-4-yl)-N-(4-phenyl-2-pyridinyl)acetamide
CID 58442951
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
1-[4-[[4-(cyclohexylmethylamino)butylamino]methyl]piperidin-1-yl]-2,2-diphenylethanone
CID 139906689
1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 168965076
(4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid
CID 163593216
2-[(2R)-2-methyl-4-[phenyl-(3-phenylphenyl)methyl]piperazin-1-yl]acetic acid;dihydrochloride
CID 68937255
2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[(4-hydroxyphenyl)-phenylmethyl]piperazin-1-yl]ethanone
CID 142220141
(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride
CID 171214607
2-(1-acetylpiperidin-4-yl)-1-[2-fluoro-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 142220126

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone (CID 168964990) is 1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CNCCC(N)c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is JLAMMUWKTUNZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18(27)26-14-11-19(12-15-26)17-25-13-10-23(24)22-9-5-8-21(16-22)20-6-3-2-4-7-20/h2-9,16,19,23,25H,10-15,17,24H2,1H3.
What are the key properties of 1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone?
1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 365.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 168964990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).