2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one

C14H18N4O — CID 136668716

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
SMILESNCC1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C14H18N4O/c15-9-10-5-7-18(8-6-10)14-16-12-4-2-1-3-11(12)13(19)17-14/h1-4,10H,5-9,15H2,(H,16,17,19)
InChIKeyZQYFTFYQAXXVJV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.10
Rot. Bonds2

About 2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one

2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one (PubChem CID 136668716) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
PubChem CID136668716
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
SMILESNCC1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C14H18N4O/c15-9-10-5-7-18(8-6-10)14-16-12-4-2-1-3-11(12)13(19)17-14/h1-4,10H,5-9,15H2,(H,16,17,19)
InChIKeyZQYFTFYQAXXVJV-UHFFFAOYSA-N
XLogP1.10
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 136706838
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 137269952
2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one
CID 137257515
2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one
CID 136790933
N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
CID 137264290
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
2-[4-[4-[3-(methoxymethyl)pyrrolidin-1-yl]benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138554206
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one (CID 136668716) is 2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one is NCC1CCN(c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one?
The InChIKey is ZQYFTFYQAXXVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-9-10-5-7-18(8-6-10)14-16-12-4-2-1-3-11(12)13(19)17-14/h1-4,10H,5-9,15H2,(H,16,17,19).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one?
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one has a molecular weight of 258.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136668716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).