1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one

C16H20N4O — CID 110436995

IUPAC1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
SMILESCC(Nc1ncnc2ccccc12)C(=O)N1CCCCC1
InChIInChI=1S/C16H20N4O/c1-12(16(21)20-9-5-2-6-10-20)19-15-13-7-3-4-8-14(13)17-11-18-15/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,17,18,19)
InChIKeyBUYOZBUASUGMSZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.44
Rot. Bonds3

About 1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one

1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one (PubChem CID 110436995) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
PubChem CID110436995
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
SMILESCC(Nc1ncnc2ccccc12)C(=O)N1CCCCC1
InChIInChI=1S/C16H20N4O/c1-12(16(21)20-9-5-2-6-10-20)19-15-13-7-3-4-8-14(13)17-11-18-15/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,17,18,19)
InChIKeyBUYOZBUASUGMSZ-UHFFFAOYSA-N
XLogP2.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one
CID 95578449
2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185
2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
CID 39165581
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112551708
1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one
CID 115619137
2-(furo[3,2-c]pyridin-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103911659
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one
CID 178126580
(2S,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6928136

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one (CID 110436995) is 1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one is CC(Nc1ncnc2ccccc12)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one?
The InChIKey is BUYOZBUASUGMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(16(21)20-9-5-2-6-10-20)19-15-13-7-3-4-8-14(13)17-11-18-15/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,17,18,19).
What are the key properties of 1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one?
1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one has a molecular weight of 284.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one is sourced from PubChem (CID 110436995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).