1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione

C24H33N5O5 — CID 172604117

IUPAC1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(OCC(=O)N2CCC(C(=O)N3CCC(N)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C24H33N5O5/c1-16-2-3-19(14-20(16)29-13-8-21(30)26-24(29)33)34-15-22(31)27-9-4-17(5-10-27)23(32)28-11-6-18(25)7-12-28/h2-3,14,17-18H,4-13,15,25H2,1H3,(H,26,30,33)
InChIKeyFOGCBLFGIQBKJU-UHFFFAOYSA-N
MW471.56 g/mol
LogP1.01
Rot. Bonds5

About 1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione

1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione (PubChem CID 172604117) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione
PubChem CID172604117
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Name1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(OCC(=O)N2CCC(C(=O)N3CCC(N)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C24H33N5O5/c1-16-2-3-19(14-20(16)29-13-8-21(30)26-24(29)33)34-15-22(31)27-9-4-17(5-10-27)23(32)28-11-6-18(25)7-12-28/h2-3,14,17-18H,4-13,15,25H2,1H3,(H,26,30,33)
InChIKeyFOGCBLFGIQBKJU-UHFFFAOYSA-N
XLogP1.01
TPSA125.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[4-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]piperazin-1-yl]cyclohexane-1-carboxylate
CID 172604083
1-[2-chloro-5-[2-[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethoxy]phenyl]-1,3-diazinane-2,4-dione
CID 174198515
N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 172604127
4-[[1-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylic acid
CID 175325032
2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide
CID 172604979
2-[2-chloro-5-[2-[[4-[4-[[4-[1-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]piperidin-4-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]-1-phenylethyl]phenyl]-4-ethoxy-3-fluorobenzamide
CID 172604966
N,N-dimethylethanamine;2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetaldehyde
CID 172604910
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063
1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione
CID 167478438
2-(2,5-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026636

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione (CID 172604117) is 1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione is Cc1ccc(OCC(=O)N2CCC(C(=O)N3CCC(N)CC3)CC2)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione?
The InChIKey is FOGCBLFGIQBKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-16-2-3-19(14-20(16)29-13-8-21(30)26-24(29)33)34-15-22(31)27-9-4-17(5-10-27)23(32)28-11-6-18(25)7-12-28/h2-3,14,17-18H,4-13,15,25H2,1H3,(H,26,30,33).
What are the key properties of 1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione?
1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione has a molecular weight of 471.56 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 172604117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).