N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide

C24H30N2O2 — CID 55979347

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)C2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C24H30N2O2/c1-28-22-11-6-5-8-19(22)18-26-16-12-21(13-17-26)25-23(27)24(14-7-15-24)20-9-3-2-4-10-20/h2-6,8-11,21H,7,12-18H2,1H3,(H,25,27)
InChIKeyLYNSPVBYJLMZFL-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.90
Rot. Bonds6

About N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 55979347) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
PubChem CID55979347
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)C2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C24H30N2O2/c1-28-22-11-6-5-8-19(22)18-26-16-12-21(13-17-26)25-23(27)24(14-7-15-24)20-9-3-2-4-10-20/h2-6,8-11,21H,7,12-18H2,1H3,(H,25,27)
InChIKeyLYNSPVBYJLMZFL-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 55979610
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 90990967
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 55977941
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 56553050
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 24668842
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 121498652
N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55951097
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide (CID 55979347) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide is COc1ccccc1CN1CCC(NC(=O)C2(c3ccccc3)CCC2)CC1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is LYNSPVBYJLMZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-22-11-6-5-8-19(22)18-26-16-12-21(13-17-26)25-23(27)24(14-7-15-24)20-9-3-2-4-10-20/h2-6,8-11,21H,7,12-18H2,1H3,(H,25,27).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 55979347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).