N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide

C16H20N4O2 — CID 138042775

IUPACN-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide
SMILESCOc1cccc2ncnc(N3CCCC(NC(C)=O)C3)c12
InChIInChI=1S/C16H20N4O2/c1-11(21)19-12-5-4-8-20(9-12)16-15-13(17-10-18-16)6-3-7-14(15)22-2/h3,6-7,10,12H,4-5,8-9H2,1-2H3,(H,19,21)
InChIKeyIXIASHVXPGWPOH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.74
Rot. Bonds3

About N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide

N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide (PubChem CID 138042775) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide
PubChem CID138042775
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide
SMILESCOc1cccc2ncnc(N3CCCC(NC(C)=O)C3)c12
InChIInChI=1S/C16H20N4O2/c1-11(21)19-12-5-4-8-20(9-12)16-15-13(17-10-18-16)6-3-7-14(15)22-2/h3,6-7,10,12H,4-5,8-9H2,1-2H3,(H,19,21)
InChIKeyIXIASHVXPGWPOH-UHFFFAOYSA-N
XLogP1.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid
CID 154771473
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 138033621
methyl 1-[5-(3,5-dimethylpiperidin-1-yl)quinazolin-4-yl]piperidine-3-carboxylate
CID 134211180
2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide
CID 154766792
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191
(3R)-N-(cyclopropylmethyl)-1-(5-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 96566820
1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220212
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)acetamide
CID 171328135
5-methoxy-4-(4-pyridin-3-ylpiperidin-1-yl)quinazoline
CID 136522483
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
1-[5-(4-acetamidocyclohexa-1,3-dien-1-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 142278618

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide (CID 138042775) is N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide is COc1cccc2ncnc(N3CCCC(NC(C)=O)C3)c12.
What is the InChIKey of N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is IXIASHVXPGWPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(21)19-12-5-4-8-20(9-12)16-15-13(17-10-18-16)6-3-7-14(15)22-2/h3,6-7,10,12H,4-5,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide?
N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 138042775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).