N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

C27H33N3O3 — CID 10480461

IUPACN-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C27H33N3O3/c31-26(28-23-12-10-21(11-13-23)20-6-2-1-3-7-20)18-29-16-14-24(15-17-29)30-25-9-5-4-8-22(25)19-33-27(30)32/h4-5,8-13,20,24H,1-3,6-7,14-19H2,(H,28,31)
InChIKeyBKOKJBYJXSVYSS-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.29
Rot. Bonds5

About N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 10480461) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
PubChem CID10480461
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C27H33N3O3/c31-26(28-23-12-10-21(11-13-23)20-6-2-1-3-7-20)18-29-16-14-24(15-17-29)30-25-9-5-4-8-22(25)19-33-27(30)32/h4-5,8-13,20,24H,1-3,6-7,14-19H2,(H,28,31)
InChIKeyBKOKJBYJXSVYSS-UHFFFAOYSA-N
XLogP5.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzoylphenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10052376
N-(4-acetylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10094962
N-(4-Benzoyl-phenyl)-2-[4-(2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-acetamide
CID 10096226
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide;hydrochloride
CID 10256046
N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
CID 10368752
N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10433144
N-(4-cyanophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10455185
N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 11753884
benzyl (2S)-2-[[4-[(E)-2-[4-[[(2S)-1-benzyloxycarbonylpiperidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 15978897
(+/-)-benzyl 2-methyl-4-(N-phenylacetamido)-3,4-dihydroquinoline-1(2H)-carboxylate
CID 46878931
benzyl 7-(4-cyclopentylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 132060776
Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
CID 2367131

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (CID 10480461) is N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is BKOKJBYJXSVYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c31-26(28-23-12-10-21(11-13-23)20-6-2-1-3-7-20)18-29-16-14-24(15-17-29)30-25-9-5-4-8-22(25)19-33-27(30)32/h4-5,8-13,20,24H,1-3,6-7,14-19H2,(H,28,31).
What are the key properties of N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 10480461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).