N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C22H25F3N4O2 — CID 91631718

IUPACN-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)31-17-7-5-15(6-8-17)13-20(30)28-16-9-11-29(12-10-16)21-18-3-1-2-4-19(18)26-14-27-21/h5-8,14,16H,1-4,9-13H2,(H,28,30)
InChIKeyHLAKKHRAZBALCS-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.58
Rot. Bonds5

About N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 91631718) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID91631718
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC NameN-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)31-17-7-5-15(6-8-17)13-20(30)28-16-9-11-29(12-10-16)21-18-3-1-2-4-19(18)26-14-27-21/h5-8,14,16H,1-4,9-13H2,(H,28,30)
InChIKeyHLAKKHRAZBALCS-UHFFFAOYSA-N
XLogP3.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91631704
methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate
CID 91631663
2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55764655
2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91817855
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91631669
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94794742
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 53203526
5-(dithiolan-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pentanamide
CID 121019495
tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 129416926
4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide
CID 91631673
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 126853561
2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817859

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 91631718) is N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCN(c2ncnc3c2CCCC3)CC1.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is HLAKKHRAZBALCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c23-22(24,25)31-17-7-5-15(6-8-17)13-20(30)28-16-9-11-29(12-10-16)21-18-3-1-2-4-19(18)26-14-27-21/h5-8,14,16H,1-4,9-13H2,(H,28,30).
What are the key properties of N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 434.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 91631718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).