(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide

C14H15FN4O — CID 94519630

IUPAC(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ncnc3cccc(F)c23)C1
InChIInChI=1S/C14H15FN4O/c15-10-4-1-5-11-12(10)14(18-8-17-11)19-6-2-3-9(7-19)13(16)20/h1,4-5,8-9H,2-3,6-7H2,(H2,16,20)/t9-/m0/s1
InChIKeyDKBPZPLAILHAOG-VIFPVBQESA-N
MW274.30 g/mol
LogP1.47
Rot. Bonds2

About (3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide

(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide (PubChem CID 94519630) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is (3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
PubChem CID94519630
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ncnc3cccc(F)c23)C1
InChIInChI=1S/C14H15FN4O/c15-10-4-1-5-11-12(10)14(18-8-17-11)19-6-2-3-9(7-19)13(16)20/h1,4-5,8-9H,2-3,6-7H2,(H2,16,20)/t9-/m0/s1
InChIKeyDKBPZPLAILHAOG-VIFPVBQESA-N
XLogP1.47
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide (CID 94519630) is (3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(c2ncnc3cccc(F)c23)C1.
What is the InChIKey of (3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide?
The InChIKey is DKBPZPLAILHAOG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15FN4O/c15-10-4-1-5-11-12(10)14(18-8-17-11)19-6-2-3-9(7-19)13(16)20/h1,4-5,8-9H,2-3,6-7H2,(H2,16,20)/t9-/m0/s1.
What are the key properties of (3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide?
(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 94519630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).