1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid

C19H24N4O2 — CID 134220212

IUPAC1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncnc3cccc(N4CCCCC4)c23)C1
InChIInChI=1S/C19H24N4O2/c24-19(25)14-6-5-11-23(12-14)18-17-15(20-13-21-18)7-4-8-16(17)22-9-2-1-3-10-22/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,24,25)
InChIKeyXFVCGEZPAFPBCX-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.92
Rot. Bonds3

About 1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid

1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid (PubChem CID 134220212) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid
PubChem CID134220212
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncnc3cccc(N4CCCCC4)c23)C1
InChIInChI=1S/C19H24N4O2/c24-19(25)14-6-5-11-23(12-14)18-17-15(20-13-21-18)7-4-8-16(17)22-9-2-1-3-10-22/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,24,25)
InChIKeyXFVCGEZPAFPBCX-UHFFFAOYSA-N
XLogP2.92
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220166
methyl 1-[5-(3,5-dimethylpiperidin-1-yl)quinazolin-4-yl]piperidine-3-carboxylate
CID 134211180
(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220216
(3R)-1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220358
1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220206
1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220226
1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210616
1-[5-(1-benzofuran-4-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134210414
1-[5-(4-chlorothiophen-2-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134210570
(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
CID 94519630
1-[5-(4-acetamidocyclohexa-1,3-dien-1-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 142278618
(3R)-N-(cyclopropylmethyl)-1-(5-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 96566820

Frequently Asked Questions

What is the IUPAC name of 1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid (CID 134220212) is 1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ncnc3cccc(N4CCCCC4)c23)C1.
What is the InChIKey of 1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is XFVCGEZPAFPBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(25)14-6-5-11-23(12-14)18-17-15(20-13-21-18)7-4-8-16(17)22-9-2-1-3-10-22/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,24,25).
What are the key properties of 1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 134220212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).