N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide

C30H41FN2O2 — CID 10162882

IUPACN-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide
SMILESCOc1ccc(F)cc1C1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)C2(C)CCCCC2)CC1
InChIInChI=1S/C30H41FN2O2/c1-30(16-8-5-9-17-30)29(34)32(2)26(20-23-10-6-4-7-11-23)22-33-18-14-24(15-19-33)27-21-25(31)12-13-28(27)35-3/h4,6-7,10-13,21,24,26H,5,8-9,14-20,22H2,1-3H3/t26-/m1/s1
InChIKeyXQCBZVLKAJHZQG-AREMUKBSSA-N
MW480.67 g/mol
LogP6.05
Rot. Bonds8

About N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide

N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide (PubChem CID 10162882) has the molecular formula C30H41FN2O2 and a molecular weight of 480.67 g/mol. Its IUPAC name is N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide
PubChem CID10162882
Molecular FormulaC30H41FN2O2
Molecular Weight480.67 g/mol
Exact Mass480.32
IUPAC NameN-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide
SMILESCOc1ccc(F)cc1C1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)C2(C)CCCCC2)CC1
InChIInChI=1S/C30H41FN2O2/c1-30(16-8-5-9-17-30)29(34)32(2)26(20-23-10-6-4-7-11-23)22-33-18-14-24(15-19-33)27-21-25(31)12-13-28(27)35-3/h4,6-7,10-13,21,24,26H,5,8-9,14-20,22H2,1-3H3/t26-/m1/s1
InChIKeyXQCBZVLKAJHZQG-AREMUKBSSA-N
XLogP6.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.67
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide (CID 10162882) is N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide is COc1ccc(F)cc1C1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)C2(C)CCCCC2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide?
The InChIKey is XQCBZVLKAJHZQG-AREMUKBSSA-N. The full InChI is InChI=1S/C30H41FN2O2/c1-30(16-8-5-9-17-30)29(34)32(2)26(20-23-10-6-4-7-11-23)22-33-18-14-24(15-19-33)27-21-25(31)12-13-28(27)35-3/h4,6-7,10-13,21,24,26H,5,8-9,14-20,22H2,1-3H3/t26-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide?
N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide has a molecular weight of 480.67 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-phenylpropan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 10162882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).