N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide

C30H34N2O — CID 91480833

IUPACN-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)C1CCN([C@@H]2CCCC[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C30H34N2O/c33-30(25-14-6-2-7-15-25)32(26-16-8-3-9-17-26)27-20-22-31(23-21-27)29-19-11-10-18-28(29)24-12-4-1-5-13-24/h1-9,12-17,27-29H,10-11,18-23H2/t28-,29-/m1/s1
InChIKeyTUINVHRJLLSTGZ-FQLXRVMXSA-N
MW438.62 g/mol
LogP6.52
Rot. Bonds5

About N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide

N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide (PubChem CID 91480833) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
PubChem CID91480833
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC NameN-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)C1CCN([C@@H]2CCCC[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C30H34N2O/c33-30(25-14-6-2-7-15-25)32(26-16-8-3-9-17-26)27-20-22-31(23-21-27)29-19-11-10-18-28(29)24-12-4-1-5-13-24/h1-9,12-17,27-29H,10-11,18-23H2/t28-,29-/m1/s1
InChIKeyTUINVHRJLLSTGZ-FQLXRVMXSA-N
XLogP6.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide?
The IUPAC name of N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide (CID 91480833) is N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide is O=C(c1ccccc1)N(c1ccccc1)C1CCN([C@@H]2CCCC[C@@H]2c2ccccc2)CC1.
What is the InChIKey of N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide?
The InChIKey is TUINVHRJLLSTGZ-FQLXRVMXSA-N. The full InChI is InChI=1S/C30H34N2O/c33-30(25-14-6-2-7-15-25)32(26-16-8-3-9-17-26)27-20-22-31(23-21-27)29-19-11-10-18-28(29)24-12-4-1-5-13-24/h1-9,12-17,27-29H,10-11,18-23H2/t28-,29-/m1/s1.
What are the key properties of N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide?
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide has a molecular weight of 438.62 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91480833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).