benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate

C28H34N4O6 — CID 167439984

IUPACbenzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate
SMILESCOc1ccc(C(=O)N2CCC(CCN(C)C(=O)OCc3ccccc3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C28H34N4O6/c1-30(28(36)38-19-21-6-4-3-5-7-21)14-10-20-11-15-31(16-12-20)26(34)22-8-9-24(37-2)23(18-22)32-17-13-25(33)29-27(32)35/h3-9,18,20H,10-17,19H2,1-2H3,(H,29,33,35)
InChIKeyZBSPNHAKLXRVTH-UHFFFAOYSA-N
MW522.60 g/mol
LogP3.65
Rot. Bonds8

About benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate

benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate (PubChem CID 167439984) has the molecular formula C28H34N4O6 and a molecular weight of 522.60 g/mol. Its IUPAC name is benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate
PubChem CID167439984
Molecular FormulaC28H34N4O6
Molecular Weight522.60 g/mol
Exact Mass522.25
IUPAC Namebenzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate
SMILESCOc1ccc(C(=O)N2CCC(CCN(C)C(=O)OCc3ccccc3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C28H34N4O6/c1-30(28(36)38-19-21-6-4-3-5-7-21)14-10-20-11-15-31(16-12-20)26(34)22-8-9-24(37-2)23(18-22)32-17-13-25(33)29-27(32)35/h3-9,18,20H,10-17,19H2,1-2H3,(H,29,33,35)
InChIKeyZBSPNHAKLXRVTH-UHFFFAOYSA-N
XLogP3.65
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid
CID 139534480
1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
CID 172604784
N-[[1-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidine-4-carbonyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 172605009
3-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propanoic acid
CID 171800036
[4-[2-[benzyl(methyl)amino]ethyl]piperidin-1-yl]-[3-(2,6-dihydro-1H-pyrimidin-3-yl)-4-methoxyphenyl]methanone
CID 175860240
1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 156707443
3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3-azaspiro[5.5]undecane-9-carbaldehyde
CID 171484980
phenyl 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoate
CID 175264333
tert-butyl N-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]methyl]-N-methylcarbamate
CID 164941791
benzyl 4-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylbenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperazine-1-carboxylate
CID 171485104
tert-butyl 5-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperazin-1-yl]pentanoate
CID 164851300
1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 171484986

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate (CID 167439984) is benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate is COc1ccc(C(=O)N2CCC(CCN(C)C(=O)OCc3ccccc3)CC2)cc1N1CCC(=O)NC1=O.
What is the InChIKey of benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate?
The InChIKey is ZBSPNHAKLXRVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O6/c1-30(28(36)38-19-21-6-4-3-5-7-21)14-10-20-11-15-31(16-12-20)26(34)22-8-9-24(37-2)23(18-22)32-17-13-25(33)29-27(32)35/h3-9,18,20H,10-17,19H2,1-2H3,(H,29,33,35).
What are the key properties of benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate?
benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate has a molecular weight of 522.60 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 167439984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).