4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide

C43H45F3N6O3 — CID 90076918

IUPAC4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(CC3C=CC(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)=NC3)CC2)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C43H45F3N6O3/c1-29-7-9-34(25-39(29)31-10-12-38(13-11-31)55-43(44,45)46)42(54)49-36-15-20-51(21-16-36)28-30-8-14-40(48-26-30)52-22-17-37(18-23-52)50-41(53)33-5-2-4-32(24-33)35-6-3-19-47-27-35/h2-14,19,24-25,27,30,36-37H,15-18,20-23,26,28H2,1H3,(H,49,54)(H,50,53)
InChIKeyNFZDPOAAIGMBCM-UHFFFAOYSA-N
MW750.87 g/mol
LogP7.30
Rot. Bonds9

About 4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide

4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 90076918) has the molecular formula C43H45F3N6O3 and a molecular weight of 750.87 g/mol. Its IUPAC name is 4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID90076918
Molecular FormulaC43H45F3N6O3
Molecular Weight750.87 g/mol
Exact Mass750.35
IUPAC Name4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(CC3C=CC(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)=NC3)CC2)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C43H45F3N6O3/c1-29-7-9-34(25-39(29)31-10-12-38(13-11-31)55-43(44,45)46)42(54)49-36-15-20-51(21-16-36)28-30-8-14-40(48-26-30)52-22-17-37(18-23-52)50-41(53)33-5-2-4-32(24-33)35-6-3-19-47-27-35/h2-14,19,24-25,27,30,36-37H,15-18,20-23,26,28H2,1H3,(H,49,54)(H,50,53)
InChIKeyNFZDPOAAIGMBCM-UHFFFAOYSA-N
XLogP7.30
TPSA99.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.87
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide with MolForge

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Related Compounds

Ave-0118
CID 9811357
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
CID 118711013
N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351784
US10844044, Example 261
CID 146455803
3,4-bis(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
CID 14570093
3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
CID 14570094
N-[1-[2-[4-(2,4-dimethoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
CID 44528827
N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44532820
N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-[[4-[5-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]phenyl]methyl]butanamide;2,2,2-trifluoroacetic acid
CID 44536223
N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide
CID 56672407
N-[2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]ethyl]-6-methoxynaphthalene-2-carboxamide chloride
CID 162645032
N-[2-[1-[(2-fluorophenyl)methyl]pyridin-1-ium-4-yl]ethyl]-6-methoxynaphthalene-2-carboxamide bromide
CID 162645266

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide (CID 90076918) is 4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide is Cc1ccc(C(=O)NC2CCN(CC3C=CC(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)=NC3)CC2)cc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is NFZDPOAAIGMBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45F3N6O3/c1-29-7-9-34(25-39(29)31-10-12-38(13-11-31)55-43(44,45)46)42(54)49-36-15-20-51(21-16-36)28-30-8-14-40(48-26-30)52-22-17-37(18-23-52)50-41(53)33-5-2-4-32(24-33)35-6-3-19-47-27-35/h2-14,19,24-25,27,30,36-37H,15-18,20-23,26,28H2,1H3,(H,49,54)(H,50,53).
What are the key properties of 4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 750.87 g/mol, XLogP of 7.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-2,3-dihydropyridin-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 90076918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).