N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide

C16H20N4O2 — CID 136580219

IUPACN-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C16H20N4O2/c1-11(21)17-10-12-6-8-20(9-7-12)16-18-14-5-3-2-4-13(14)15(22)19-16/h2-5,12H,6-10H2,1H3,(H,17,21)(H,18,19,22)
InChIKeyHMRHWRXZKDNQCU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.28
Rot. Bonds3

About N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide

N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 136580219) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide
PubChem CID136580219
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C16H20N4O2/c1-11(21)17-10-12-6-8-20(9-7-12)16-18-14-5-3-2-4-13(14)15(22)19-16/h2-5,12H,6-10H2,1H3,(H,17,21)(H,18,19,22)
InChIKeyHMRHWRXZKDNQCU-UHFFFAOYSA-N
XLogP1.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide (CID 136580219) is N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is HMRHWRXZKDNQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(21)17-10-12-6-8-20(9-7-12)16-18-14-5-3-2-4-13(14)15(22)19-16/h2-5,12H,6-10H2,1H3,(H,17,21)(H,18,19,22).
What are the key properties of N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 136580219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).