N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide

C27H33N3O2 — CID 122175074

IUPACN-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C27H33N3O2/c31-26(28-22-14-16-29(17-15-22)18-20-8-3-1-4-9-20)24-13-7-10-21-19-30(27(32)25(21)24)23-11-5-2-6-12-23/h1,3-4,7-10,13,22-23H,2,5-6,11-12,14-19H2,(H,28,31)
InChIKeyMERNLZKESRESGX-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.37
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide

N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 122175074) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
PubChem CID122175074
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C27H33N3O2/c31-26(28-22-14-16-29(17-15-22)18-20-8-3-1-4-9-20)24-13-7-10-21-19-30(27(32)25(21)24)23-11-5-2-6-12-23/h1,3-4,7-10,13,22-23H,2,5-6,11-12,14-19H2,(H,28,31)
InChIKeyMERNLZKESRESGX-UHFFFAOYSA-N
XLogP4.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-3-oxo-1H-isoindole-4-carboxylic acid
CID 783733
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CID 110451979
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
CID 68709667
N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 20544688
N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide
CID 26691477
3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 155425453
3-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophene-4-carboxamide
CID 22092181
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (CID 122175074) is N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2c1C(=O)N(C1CCCCC1)C2.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is MERNLZKESRESGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c31-26(28-22-14-16-29(17-15-22)18-20-8-3-1-4-9-20)24-13-7-10-21-19-30(27(32)25(21)24)23-11-5-2-6-12-23/h1,3-4,7-10,13,22-23H,2,5-6,11-12,14-19H2,(H,28,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 122175074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).