tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate

C28H41N5O6 — CID 170073099

IUPACtert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate
SMILESCOc1cc(C(=O)N2CCC(CC3CCN(NC(=O)OC(C)(C)C)CC3)CC2)ccc1N1CCC(=O)NC1=O
InChIInChI=1S/C28H41N5O6/c1-28(2,3)39-27(37)30-32-14-9-20(10-15-32)17-19-7-12-31(13-8-19)25(35)21-5-6-22(23(18-21)38-4)33-16-11-24(34)29-26(33)36/h5-6,18-20H,7-17H2,1-4H3,(H,30,37)(H,29,34,36)
InChIKeyLGMVLWOEYBQQFZ-UHFFFAOYSA-N
MW543.67 g/mol
LogP3.54
Rot. Bonds6

About tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate

tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate (PubChem CID 170073099) has the molecular formula C28H41N5O6 and a molecular weight of 543.67 g/mol. Its IUPAC name is tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate
PubChem CID170073099
Molecular FormulaC28H41N5O6
Molecular Weight543.67 g/mol
Exact Mass543.31
IUPAC Nametert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate
SMILESCOc1cc(C(=O)N2CCC(CC3CCN(NC(=O)OC(C)(C)C)CC3)CC2)ccc1N1CCC(=O)NC1=O
InChIInChI=1S/C28H41N5O6/c1-28(2,3)39-27(37)30-32-14-9-20(10-15-32)17-19-7-12-31(13-8-19)25(35)21-5-6-22(23(18-21)38-4)33-16-11-24(34)29-26(33)36/h5-6,18-20H,7-17H2,1-4H3,(H,30,37)(H,29,34,36)
InChIKeyLGMVLWOEYBQQFZ-UHFFFAOYSA-N
XLogP3.54
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.67
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate
CID 170072979
tert-butyl 5-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperazin-1-yl]pentanoate
CID 164851300
tert-butyl 6-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperazin-1-yl]hexanoate
CID 164851150
4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid
CID 139534480
N-[[1-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidine-4-carbonyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 172605009
tert-butyl N-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]methyl]-N-methylcarbamate
CID 164941791
tert-butyl N-[[1-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperidin-4-yl]methyl]carbamate
CID 52819846
benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate
CID 167439984
1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
CID 172604784
3-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propanoic acid
CID 171800036
1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 171484986
1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 156707443

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate (CID 170073099) is tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate is COc1cc(C(=O)N2CCC(CC3CCN(NC(=O)OC(C)(C)C)CC3)CC2)ccc1N1CCC(=O)NC1=O.
What is the InChIKey of tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate?
The InChIKey is LGMVLWOEYBQQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O6/c1-28(2,3)39-27(37)30-32-14-9-20(10-15-32)17-19-7-12-31(13-8-19)25(35)21-5-6-22(23(18-21)38-4)33-16-11-24(34)29-26(33)36/h5-6,18-20H,7-17H2,1-4H3,(H,30,37)(H,29,34,36).
What are the key properties of tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate?
tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate has a molecular weight of 543.67 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate is sourced from PubChem (CID 170073099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).