N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide

C24H25F6N3O — CID 59764957

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C24H25F6N3O/c25-23(26,27)18-12-19(24(28,29)30)14-20(13-18)31-22(34)33-11-8-21(15-33)32-9-6-17(7-10-32)16-4-2-1-3-5-16/h1-5,12-14,17,21H,6-11,15H2,(H,31,34)
InChIKeySRFRUFQEFCMOAT-UHFFFAOYSA-N
MW485.47 g/mol
LogP6.21
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide (PubChem CID 59764957) has the molecular formula C24H25F6N3O and a molecular weight of 485.47 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
PubChem CID59764957
Molecular FormulaC24H25F6N3O
Molecular Weight485.47 g/mol
Exact Mass485.19
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C24H25F6N3O/c25-23(26,27)18-12-19(24(28,29)30)14-20(13-18)31-22(34)33-11-8-21(15-33)32-9-6-17(7-10-32)16-4-2-1-3-5-16/h1-5,12-14,17,21H,6-11,15H2,(H,31,34)
InChIKeySRFRUFQEFCMOAT-UHFFFAOYSA-N
XLogP6.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.47
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide (CID 59764957) is N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is SRFRUFQEFCMOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N3O/c25-23(26,27)18-12-19(24(28,29)30)14-20(13-18)31-22(34)33-11-8-21(15-33)32-9-6-17(7-10-32)16-4-2-1-3-5-16/h1-5,12-14,17,21H,6-11,15H2,(H,31,34).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 485.47 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 59764957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).