N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

C33H38F3N3O2 — CID 44532910

IUPACN-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cccc(C2CCN(CCN3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c1
InChIInChI=1S/C33H38F3N3O2/c1-41-31-4-2-3-28(23-31)26-13-17-38(18-14-26)21-22-39-19-15-30(16-20-39)37-32(40)27-7-5-24(6-8-27)25-9-11-29(12-10-25)33(34,35)36/h2-12,23,26,30H,13-22H2,1H3,(H,37,40)
InChIKeyQBHNCWLFBBZUIN-UHFFFAOYSA-N
MW565.68 g/mol
LogP6.45
Rot. Bonds8

About N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 44532910) has the molecular formula C33H38F3N3O2 and a molecular weight of 565.68 g/mol. Its IUPAC name is N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID44532910
Molecular FormulaC33H38F3N3O2
Molecular Weight565.68 g/mol
Exact Mass565.29
IUPAC NameN-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cccc(C2CCN(CCN3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c1
InChIInChI=1S/C33H38F3N3O2/c1-41-31-4-2-3-28(23-31)26-13-17-38(18-14-26)21-22-39-19-15-30(16-20-39)37-32(40)27-7-5-24(6-8-27)25-9-11-29(12-10-25)33(34,35)36/h2-12,23,26,30H,13-22H2,1H3,(H,37,40)
InChIKeyQBHNCWLFBBZUIN-UHFFFAOYSA-N
XLogP6.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Snc 80
CID 123924
GT-0198
CID 71584823
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
[4-[(3-Methoxyphenyl)-(7-prop-2-enyl-2,7-diazatricyclo[4.4.0.03,8]decan-2-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 58313427
N,N-diethyl-4-[(3-methoxyphenyl)-(7-prop-2-enyl-2,7-diazatricyclo[4.4.0.03,8]decan-2-yl)methyl]benzamide
CID 58313465
10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 24873473
N-Ethyl-4-{(3-methoxy-phenyl)-[8-(3-methyl-but-2-enyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-methyl}-benzamide
CID 44306977
N-Ethyl-4-[(3-methoxy-phenyl)-(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 44307198
10-(cyclopropylmethyl)-N-[2-[4-[4-(difluoromethoxy)phenyl]phenyl]ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 71459820
3-Methoxy-N-(9-propyl-9-aza-bicyclo[3.3.1]non-3-yl)-benzamide
CID 3217973
Biphenyl-4-yl[4-(3-methoxybenzyl)piperazin-1-yl]methanone
CID 1361220
3-methoxy-N-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)benzamide
CID 9799726

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 44532910) is N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is COc1cccc(C2CCN(CCN3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c1.
What is the InChIKey of N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QBHNCWLFBBZUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F3N3O2/c1-41-31-4-2-3-28(23-31)26-13-17-38(18-14-26)21-22-39-19-15-30(16-20-39)37-32(40)27-7-5-24(6-8-27)25-9-11-29(12-10-25)33(34,35)36/h2-12,23,26,30H,13-22H2,1H3,(H,37,40).
What are the key properties of N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 565.68 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 44532910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).