4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide

C25H32N4O2 — CID 91631673

IUPAC4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide
SMILESO=C(NC1CCN(c2ncnc3c2CCCC3)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H32N4O2/c30-24(25(12-16-31-17-13-25)19-6-2-1-3-7-19)28-20-10-14-29(15-11-20)23-21-8-4-5-9-22(21)26-18-27-23/h1-3,6-7,18,20H,4-5,8-17H2,(H,28,30)
InChIKeyCHJKHWOBGJAETI-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.19
Rot. Bonds4

About 4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide

4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide (PubChem CID 91631673) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide
PubChem CID91631673
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide
SMILESO=C(NC1CCN(c2ncnc3c2CCCC3)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H32N4O2/c30-24(25(12-16-31-17-13-25)19-6-2-1-3-7-19)28-20-10-14-29(15-11-20)23-21-8-4-5-9-22(21)26-18-27-23/h1-3,6-7,18,20H,4-5,8-17H2,(H,28,30)
InChIKeyCHJKHWOBGJAETI-UHFFFAOYSA-N
XLogP3.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 99819338
N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
CID 126851440
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91817855
methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate
CID 91631663
4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide
CID 166190743
2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817859
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91631669
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 112822610
N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylbenzamide
CID 167797951
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 126853561

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide (CID 91631673) is 4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide is O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide?
The InChIKey is CHJKHWOBGJAETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24(25(12-16-31-17-13-25)19-6-2-1-3-7-19)28-20-10-14-29(15-11-20)23-21-8-4-5-9-22(21)26-18-27-23/h1-3,6-7,18,20H,4-5,8-17H2,(H,28,30).
What are the key properties of 4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide?
4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 91631673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).