2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone

C30H32N2O2 — CID 149207123

IUPAC2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone
SMILESCC(=O)N1CCC(NC2CC2c2ccc(CC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C30H32N2O2/c1-21(33)32-17-15-27(16-18-32)31-29-20-28(29)25-9-7-22(8-10-25)19-30(34)26-13-11-24(12-14-26)23-5-3-2-4-6-23/h2-14,27-29,31H,15-20H2,1H3
InChIKeyXFVHUJPUKPEKBJ-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.24
Rot. Bonds7

About 2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone

2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone (PubChem CID 149207123) has the molecular formula C30H32N2O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone
PubChem CID149207123
Molecular FormulaC30H32N2O2
Molecular Weight452.60 g/mol
Exact Mass452.25
IUPAC Name2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone
SMILESCC(=O)N1CCC(NC2CC2c2ccc(CC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C30H32N2O2/c1-21(33)32-17-15-27(16-18-32)31-29-20-28(29)25-9-7-22(8-10-25)19-30(34)26-13-11-24(12-14-26)23-5-3-2-4-6-23/h2-14,27-29,31H,15-20H2,1H3
InChIKeyXFVHUJPUKPEKBJ-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone with MolForge

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Related Compounds

1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone
CID 146685748
N-ethylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129098117
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone
CID 43745998
N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide
CID 129098249
N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 129098167
N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide
CID 71260436
(1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid
CID 71134933
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 158404708
N-(1,2-dioxohexan-3-yl)-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129121769
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone (CID 149207123) is 2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone is CC(=O)N1CCC(NC2CC2c2ccc(CC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1.
What is the InChIKey of 2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone?
The InChIKey is XFVHUJPUKPEKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2/c1-21(33)32-17-15-27(16-18-32)31-29-20-28(29)25-9-7-22(8-10-25)19-30(34)26-13-11-24(12-14-26)23-5-3-2-4-6-23/h2-14,27-29,31H,15-20H2,1H3.
What are the key properties of 2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone?
2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone has a molecular weight of 452.60 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 149207123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).