1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide

C27H35FN2O — CID 56672153

IUPAC1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(CC1(c2ccc(F)cc2)CCCCC1)C(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H35FN2O/c1-29(21-27(16-6-3-7-17-27)24-10-12-25(28)13-11-24)26(31)23-14-18-30(19-15-23)20-22-8-4-2-5-9-22/h2,4-5,8-13,23H,3,6-7,14-21H2,1H3
InChIKeyAAODAPWBBKJMEX-UHFFFAOYSA-N
MW422.59 g/mol
LogP5.40
Rot. Bonds6

About 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide

1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 56672153) has the molecular formula C27H35FN2O and a molecular weight of 422.59 g/mol. Its IUPAC name is 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID56672153
Molecular FormulaC27H35FN2O
Molecular Weight422.59 g/mol
Exact Mass422.27
IUPAC Name1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(CC1(c2ccc(F)cc2)CCCCC1)C(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H35FN2O/c1-29(21-27(16-6-3-7-17-27)24-10-12-25(28)13-11-24)26(31)23-14-18-30(19-15-23)20-22-8-4-2-5-9-22/h2,4-5,8-13,23H,3,6-7,14-21H2,1H3
InChIKeyAAODAPWBBKJMEX-UHFFFAOYSA-N
XLogP5.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide (CID 56672153) is 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide is CN(CC1(c2ccc(F)cc2)CCCCC1)C(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is AAODAPWBBKJMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN2O/c1-29(21-27(16-6-3-7-17-27)24-10-12-25(28)13-11-24)26(31)23-14-18-30(19-15-23)20-22-8-4-2-5-9-22/h2,4-5,8-13,23H,3,6-7,14-21H2,1H3.
What are the key properties of 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide?
1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 422.59 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 56672153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).