N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide

C24H24F4N4O2 — CID 28955325

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc2c(C)nc(N3CCC(C(=O)NCc4cc(F)cc(C(F)(F)F)c4)CC3)nc2c1
InChIInChI=1S/C24H24F4N4O2/c1-14-20-4-3-19(34-2)12-21(20)31-23(30-14)32-7-5-16(6-8-32)22(33)29-13-15-9-17(24(26,27)28)11-18(25)10-15/h3-4,9-12,16H,5-8,13H2,1-2H3,(H,29,33)
InChIKeyMGVLKLUDNGNFFR-UHFFFAOYSA-N
MW476.47 g/mol
LogP4.64
Rot. Bonds5

About N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide (PubChem CID 28955325) has the molecular formula C24H24F4N4O2 and a molecular weight of 476.47 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide
PubChem CID28955325
Molecular FormulaC24H24F4N4O2
Molecular Weight476.47 g/mol
Exact Mass476.18
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc2c(C)nc(N3CCC(C(=O)NCc4cc(F)cc(C(F)(F)F)c4)CC3)nc2c1
InChIInChI=1S/C24H24F4N4O2/c1-14-20-4-3-19(34-2)12-21(20)31-23(30-14)32-7-5-16(6-8-32)22(33)29-13-15-9-17(24(26,27)28)11-18(25)10-15/h3-4,9-12,16H,5-8,13H2,1-2H3,(H,29,33)
InChIKeyMGVLKLUDNGNFFR-UHFFFAOYSA-N
XLogP4.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
CID 118754590
N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 133341503
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
N-[(4-methoxyphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 25354339
(3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 42369759
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carboxamide
CID 42275679
N-[(3,5-difluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892463
N-[(5-fluoro-2-methylphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
CID 42169453
1-(4,7-dimethylquinazolin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 45172556
1-(4-methylquinazolin-2-yl)-N-(2-naphthalen-2-ylethyl)piperidine-4-carboxamide
CID 26275494
2-(cyclopropanecarbonylamino)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 67510781

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide (CID 28955325) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide is COc1ccc2c(C)nc(N3CCC(C(=O)NCc4cc(F)cc(C(F)(F)F)c4)CC3)nc2c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide?
The InChIKey is MGVLKLUDNGNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O2/c1-14-20-4-3-19(34-2)12-21(20)31-23(30-14)32-7-5-16(6-8-32)22(33)29-13-15-9-17(24(26,27)28)11-18(25)10-15/h3-4,9-12,16H,5-8,13H2,1-2H3,(H,29,33).
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide has a molecular weight of 476.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 28955325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).