3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one

C14H19N3O — CID 97169092

IUPAC3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1C[C@@H]1CCCNC1
InChIInChI=1S/C14H19N3O/c18-14-16-13-6-2-1-5-12(13)10-17(14)9-11-4-3-7-15-8-11/h1-2,5-6,11,15H,3-4,7-10H2,(H,16,18)/t11-/m1/s1
InChIKeyPLPICVCRBRDOMT-LLVKDONJSA-N
MW245.33 g/mol
LogP2.03
Rot. Bonds2

About 3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one

3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one (PubChem CID 97169092) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one
PubChem CID97169092
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1C[C@@H]1CCCNC1
InChIInChI=1S/C14H19N3O/c18-14-16-13-6-2-1-5-12(13)10-17(14)9-11-4-3-7-15-8-11/h1-2,5-6,11,15H,3-4,7-10H2,(H,16,18)/t11-/m1/s1
InChIKeyPLPICVCRBRDOMT-LLVKDONJSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
2-(piperidin-3-ylmethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525998
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
2-(piperidin-3-ylmethyl)-4H-isoquinoline-1,3-dione
CID 43123761
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline
CID 120849285
4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116979173
2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153568
1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979163
6,6-dimethyl-3-(piperidin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836309
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one (CID 97169092) is 3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one is O=C1Nc2ccccc2CN1C[C@@H]1CCCNC1.
What is the InChIKey of 3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one?
The InChIKey is PLPICVCRBRDOMT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-16-13-6-2-1-5-12(13)10-17(14)9-11-4-3-7-15-8-11/h1-2,5-6,11,15H,3-4,7-10H2,(H,16,18)/t11-/m1/s1.
What are the key properties of 3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one?
3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 97169092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).