N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid

C28H35F3N4O5 — CID 146058464

IUPACN-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(C(=O)N(CC(=O)N2CCNCC2)C2CCN(Cc3ccccc3)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H34N4O3.C2HF3O2/c1-33-24-9-5-8-22(18-24)26(32)30(20-25(31)29-16-12-27-13-17-29)23-10-14-28(15-11-23)19-21-6-3-2-4-7-21;3-2(4,5)1(6)7/h2-9,18,23,27H,10-17,19-20H2,1H3;(H,6,7)
InChIKeyOQVZTESRNIQVMO-UHFFFAOYSA-N
MW564.61 g/mol
LogP2.87
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid

N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 146058464) has the molecular formula C28H35F3N4O5 and a molecular weight of 564.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
PubChem CID146058464
Molecular FormulaC28H35F3N4O5
Molecular Weight564.61 g/mol
Exact Mass564.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(C(=O)N(CC(=O)N2CCNCC2)C2CCN(Cc3ccccc3)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H34N4O3.C2HF3O2/c1-33-24-9-5-8-22(18-24)26(32)30(20-25(31)29-16-12-27-13-17-29)23-10-14-28(15-11-23)19-21-6-3-2-4-7-21;3-2(4,5)1(6)7/h2-9,18,23,27H,10-17,19-20H2,1H3;(H,6,7)
InChIKeyOQVZTESRNIQVMO-UHFFFAOYSA-N
XLogP2.87
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.61
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-[(3-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058429
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146057245
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058528
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779627
N-(1-benzylpiperidin-4-yl)-2,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 155881885
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 24731106
3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333040
3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide
CID 20934287
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119454800

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid (CID 146058464) is N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid is COc1cccc(C(=O)N(CC(=O)N2CCNCC2)C2CCN(Cc3ccccc3)CC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is OQVZTESRNIQVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3.C2HF3O2/c1-33-24-9-5-8-22(18-24)26(32)30(20-25(31)29-16-12-27-13-17-29)23-10-14-28(15-11-23)19-21-6-3-2-4-7-21;3-2(4,5)1(6)7/h2-9,18,23,27H,10-17,19-20H2,1H3;(H,6,7).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid?
N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 564.61 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146058464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).