N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

C26H32N4O3 — CID 60515754

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)cc2)C1
InChIInChI=1S/C26H32N4O3/c1-18-13-19(2)16-29(15-18)17-21-9-7-20(8-10-21)14-27-24(31)11-12-30-23-6-4-3-5-22(23)25(32)28-26(30)33/h3-10,18-19H,11-17H2,1-2H3,(H,27,31)(H,28,32,33)
InChIKeyAEEKWOSGHSAGHB-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.87
Rot. Bonds7

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (PubChem CID 60515754) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
PubChem CID60515754
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)cc2)C1
InChIInChI=1S/C26H32N4O3/c1-18-13-19(2)16-29(15-18)17-21-9-7-20(8-10-21)14-27-24(31)11-12-30-23-6-4-3-5-22(23)25(32)28-26(30)33/h3-10,18-19H,11-17H2,1-2H3,(H,27,31)(H,28,32,33)
InChIKeyAEEKWOSGHSAGHB-UHFFFAOYSA-N
XLogP2.87
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide with MolForge

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551373
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide
CID 55742680
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 25394121
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55845388
3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512038
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 47058183
trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 100853179
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (CID 60515754) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is CC1CC(C)CN(Cc2ccc(CNC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)cc2)C1.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The InChIKey is AEEKWOSGHSAGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18-13-19(2)16-29(15-18)17-21-9-7-20(8-10-21)14-27-24(31)11-12-30-23-6-4-3-5-22(23)25(32)28-26(30)33/h3-10,18-19H,11-17H2,1-2H3,(H,27,31)(H,28,32,33).
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide has a molecular weight of 448.57 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is sourced from PubChem (CID 60515754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).