N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide

C22H30N4O4 — CID 55575029

IUPACN-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide
SMILESO=C(CCN1C(=O)COc2ccccc21)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H30N4O4/c27-20(10-11-26-18-8-4-5-9-19(18)30-16-21(26)28)24-12-14-25(15-13-24)22(29)23-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-16H2,(H,23,29)
InChIKeyXOXWEUIXJVXLMA-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.99
Rot. Bonds4

About N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide

N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide (PubChem CID 55575029) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide
PubChem CID55575029
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide
SMILESO=C(CCN1C(=O)COc2ccccc21)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H30N4O4/c27-20(10-11-26-18-8-4-5-9-19(18)30-16-21(26)28)24-12-14-25(15-13-24)22(29)23-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-16H2,(H,23,29)
InChIKeyXOXWEUIXJVXLMA-UHFFFAOYSA-N
XLogP1.99
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 5018828
4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 39163207
4-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 35951831
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 7737421
4-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one
CID 86926548
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 9463774
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 9383337
4-[3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one
CID 35367982
3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide
CID 119389632
N-[(1S,2R)-2-methylcyclohexyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 6938468
4-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1,4-benzoxazin-3-one;hydrochloride
CID 120816015
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47031609

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide (CID 55575029) is N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide is O=C(CCN1C(=O)COc2ccccc21)N1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide?
The InChIKey is XOXWEUIXJVXLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c27-20(10-11-26-18-8-4-5-9-19(18)30-16-21(26)28)24-12-14-25(15-13-24)22(29)23-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-16H2,(H,23,29).
What are the key properties of N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 55575029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).