N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide

C26H28F6N2O2 — CID 46848591

IUPACN-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCN(C2CCCC2)C1
InChIInChI=1S/C26H28F6N2O2/c1-36-21-15-18(25(27,28)29)14-20(26(30,31)32)22(21)23(35)33-24(17-8-3-2-4-9-17)12-7-13-34(16-24)19-10-5-6-11-19/h2-4,8-9,14-15,19H,5-7,10-13,16H2,1H3,(H,33,35)
InChIKeyWXDZHXSCSPJUOV-UHFFFAOYSA-N
MW514.51 g/mol
LogP6.40
Rot. Bonds5

About N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide

N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide (PubChem CID 46848591) has the molecular formula C26H28F6N2O2 and a molecular weight of 514.51 g/mol. Its IUPAC name is N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide
PubChem CID46848591
Molecular FormulaC26H28F6N2O2
Molecular Weight514.51 g/mol
Exact Mass514.21
IUPAC NameN-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCN(C2CCCC2)C1
InChIInChI=1S/C26H28F6N2O2/c1-36-21-15-18(25(27,28)29)14-20(26(30,31)32)22(21)23(35)33-24(17-8-3-2-4-9-17)12-7-13-34(16-24)19-10-5-6-11-19/h2-4,8-9,14-15,19H,5-7,10-13,16H2,1H3,(H,33,35)
InChIKeyWXDZHXSCSPJUOV-UHFFFAOYSA-N
XLogP6.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.51
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-{3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}ethoxy)benzamide
CID 25218492
N-cyclohexyl-3-methoxynaphthalene-2-carboxamide
CID 2571368
(3-Methoxynaphthalen-2-yl)(piperidin-1-yl)methanone
CID 2711799
N-cyclopentyl-3-methoxynaphthalene-2-carboxamide
CID 4788977
1-[4-(3-Methoxynaphthalene-2-carbonyl)piperazin-1-yl]ethan-1-one
CID 24251255
(3-Methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 25161591
4-((alpha-R)-alpha-((2S,5R)-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide
CID 10573581
N,N-diethyl-4-[(3-methoxyphenyl)(2,5,5-trimethylpiperazin-1-yl)methyl]benzamide
CID 10598391
N,N-Diethyl-4-[(3-methoxy-phenyl)-(2,2,5-trimethyl-piperazin-1-yl)-methyl]-benzamide
CID 10598392
7-Iodo-3-methoxy-naphthalene-2-carboxylic acid (1-ethyl-pyrrolidin-2-ylmethyl)-amide (INAP)
CID 14528113
3-Methoxy-naphthalene-2-carboxylic acid (1-ethyl-pyrrolidin-2-ylmethyl)-amide
CID 14528115
(R)-8-ethyl-7-methoxy-1,3,4,10b-tetrahydropyrazino[2,1-a]-isoindol-6(2H)-one
CID 16115517

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide (CID 46848591) is N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCN(C2CCCC2)C1.
What is the InChIKey of N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide?
The InChIKey is WXDZHXSCSPJUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F6N2O2/c1-36-21-15-18(25(27,28)29)14-20(26(30,31)32)22(21)23(35)33-24(17-8-3-2-4-9-17)12-7-13-34(16-24)19-10-5-6-11-19/h2-4,8-9,14-15,19H,5-7,10-13,16H2,1H3,(H,33,35).
What are the key properties of N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide?
N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide has a molecular weight of 514.51 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 46848591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).