methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate

C22H26N4O3 — CID 91631663

IUPACmethyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-29-22(28)16-8-6-15(7-9-16)21(27)25-17-10-12-26(13-11-17)20-18-4-2-3-5-19(18)23-14-24-20/h6-9,14,17H,2-5,10-13H2,1H3,(H,25,27)
InChIKeyUGKZDLVJTBOOPC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.54
Rot. Bonds4

About methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate

methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate (PubChem CID 91631663) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate
PubChem CID91631663
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Namemethyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-29-22(28)16-8-6-15(7-9-16)21(27)25-17-10-12-26(13-11-17)20-18-4-2-3-5-19(18)23-14-24-20/h6-9,14,17H,2-5,10-13H2,1H3,(H,25,27)
InChIKeyUGKZDLVJTBOOPC-UHFFFAOYSA-N
XLogP2.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate with MolForge

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Related Compounds

7-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 91817853
2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817859
2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91631704
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 91631718
N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylbenzamide
CID 167797951
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
6-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888268
2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91817855
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91631669
5-(dithiolan-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pentanamide
CID 121019495

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate (CID 91631663) is methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)cc1.
What is the InChIKey of methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate?
The InChIKey is UGKZDLVJTBOOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-29-22(28)16-8-6-15(7-9-16)21(27)25-17-10-12-26(13-11-17)20-18-4-2-3-5-19(18)23-14-24-20/h6-9,14,17H,2-5,10-13H2,1H3,(H,25,27).
What are the key properties of methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate?
methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate has a molecular weight of 394.48 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate is sourced from PubChem (CID 91631663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).