cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone

C23H28N2O — CID 56827303

IUPACcyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone
SMILESCc1ccccc1-c1cccc(CNC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C23H28N2O/c1-17-5-2-3-8-22(17)20-7-4-6-18(15-20)16-24-21-11-13-25(14-12-21)23(26)19-9-10-19/h2-8,15,19,21,24H,9-14,16H2,1H3
InChIKeyLCUYJANKVKIVHT-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.15
Rot. Bonds5

About cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone (PubChem CID 56827303) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone
PubChem CID56827303
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Namecyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone
SMILESCc1ccccc1-c1cccc(CNC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C23H28N2O/c1-17-5-2-3-8-22(17)20-7-4-6-18(15-20)16-24-21-11-13-25(14-12-21)23(26)19-9-10-19/h2-8,15,19,21,24H,9-14,16H2,1H3
InChIKeyLCUYJANKVKIVHT-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
cyclopropyl-[4-[(4-phenylphenyl)methylamino]piperidin-1-yl]methanone;hydrochloride
CID 56808716
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434746
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
cyclopropyl-[4-[(3,5-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 60789546
[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 83232075
N-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 166218883
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
CID 110822175
cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone (CID 56827303) is cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone is Cc1ccccc1-c1cccc(CNC2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone?
The InChIKey is LCUYJANKVKIVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17-5-2-3-8-22(17)20-7-4-6-18(15-20)16-24-21-11-13-25(14-12-21)23(26)19-9-10-19/h2-8,15,19,21,24H,9-14,16H2,1H3.
What are the key properties of cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone has a molecular weight of 348.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 56827303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).