N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide

C30H30F6N2O2 — CID 58913428

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C30H30F6N2O2/c31-29(32,33)24-16-20(17-25(18-24)30(34,35)36)19-37-28(40)27(23-6-8-26(39)9-7-23)12-15-38-13-10-22(11-14-38)21-4-2-1-3-5-21/h1-9,16-18,22,27,39H,10-15,19H2,(H,37,40)
InChIKeyVLPZCZQGMWXVET-UHFFFAOYSA-N
MW564.57 g/mol
LogP7.10
Rot. Bonds8

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide (PubChem CID 58913428) has the molecular formula C30H30F6N2O2 and a molecular weight of 564.57 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide
PubChem CID58913428
Molecular FormulaC30H30F6N2O2
Molecular Weight564.57 g/mol
Exact Mass564.22
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C30H30F6N2O2/c31-29(32,33)24-16-20(17-25(18-24)30(34,35)36)19-37-28(40)27(23-6-8-26(39)9-7-23)12-15-38-13-10-22(11-14-38)21-4-2-1-3-5-21/h1-9,16-18,22,27,39H,10-15,19H2,(H,37,40)
InChIKeyVLPZCZQGMWXVET-UHFFFAOYSA-N
XLogP7.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.57
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxy-2,6-dimethyl-phenyl)-propan-1-one
CID 11729952
(2S)-2-amino-N-[(3-benzylphenyl)methyl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide;2,2,2-trifluoroacetic acid
CID 155527807
N-(cyclohexylmethyl)-3-(4-hydroxyphenyl)benzamide
CID 2084273
2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-(4-phenyl-butyl)-benzamide
CID 10024067
N-[1-(4-Hydroxy-phenyl)-2-phenyl-ethyl]-2,2-diphenyl-acetamide
CID 10046989
N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide
CID 10250831
2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-[4-(4-trifluoromethyl-phenyl)-butyl]-benzamide
CID 23544126
2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-((E)-4-phenyl-but-3-enyl)-benzamide
CID 23544127
2-{[3-(4-Hydroxy-phenyl)-propylamino]-methyl}-N-(4-phenyl-butyl)-benzamide
CID 23544168
2-(6-Hydroxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-phenyl-but-3-enyl)-benzamide
CID 23544186
2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-((Z)-4-phenyl-but-3-enyl)-benzamide
CID 44367437
2-(4-Hydroxyphenyl)-2-phenyl-N-(3,3-diphenylpropyl)-acetamide
CID 44578655

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide (CID 58913428) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide is O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)c1ccc(O)cc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide?
The InChIKey is VLPZCZQGMWXVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F6N2O2/c31-29(32,33)24-16-20(17-25(18-24)30(34,35)36)19-37-28(40)27(23-6-8-26(39)9-7-23)12-15-38-13-10-22(11-14-38)21-4-2-1-3-5-21/h1-9,16-18,22,27,39H,10-15,19H2,(H,37,40).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide has a molecular weight of 564.57 g/mol, XLogP of 7.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-(4-phenylpiperidin-1-yl)butanamide is sourced from PubChem (CID 58913428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).