1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide

C25H28ClF3N2O2 — CID 121304861

IUPAC1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide
SMILESO=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H28ClF3N2O2/c26-20-8-6-19(7-9-20)23(10-11-23)22(32)30-17-21(16-18-4-2-1-3-5-18)31-14-12-24(33,13-15-31)25(27,28)29/h1-9,21,33H,10-17H2,(H,30,32)
InChIKeySGEZELHMEQVNFY-UHFFFAOYSA-N
MW480.96 g/mol
LogP4.49
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide (PubChem CID 121304861) has the molecular formula C25H28ClF3N2O2 and a molecular weight of 480.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide
PubChem CID121304861
Molecular FormulaC25H28ClF3N2O2
Molecular Weight480.96 g/mol
Exact Mass480.18
IUPAC Name1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide
SMILESO=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H28ClF3N2O2/c26-20-8-6-19(7-9-20)23(10-11-23)22(32)30-17-21(16-18-4-2-1-3-5-18)31-14-12-24(33,13-15-31)25(27,28)29/h1-9,21,33H,10-17H2,(H,30,32)
InChIKeySGEZELHMEQVNFY-UHFFFAOYSA-N
XLogP4.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide (CID 121304861) is 1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide is O=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide?
The InChIKey is SGEZELHMEQVNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF3N2O2/c26-20-8-6-19(7-9-20)23(10-11-23)22(32)30-17-21(16-18-4-2-1-3-5-18)31-14-12-24(33,13-15-31)25(27,28)29/h1-9,21,33H,10-17H2,(H,30,32).
What are the key properties of 1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide has a molecular weight of 480.96 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 121304861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).