4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid

C23H30N4O7 — CID 139534480

IUPAC4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(OC3CCN(C(=O)O)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C23H30N4O7/c1-33-19-3-2-15(14-18(19)27-13-8-20(28)24-22(27)30)21(29)25-9-4-16(5-10-25)34-17-6-11-26(12-7-17)23(31)32/h2-3,14,16-17H,4-13H2,1H3,(H,31,32)(H,24,28,30)
InChIKeyUCWFEBDJXDPWTI-UHFFFAOYSA-N
MW474.51 g/mol
LogP1.91
Rot. Bonds5

About 4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid

4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid (PubChem CID 139534480) has the molecular formula C23H30N4O7 and a molecular weight of 474.51 g/mol. Its IUPAC name is 4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid
PubChem CID139534480
Molecular FormulaC23H30N4O7
Molecular Weight474.51 g/mol
Exact Mass474.21
IUPAC Name4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(OC3CCN(C(=O)O)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C23H30N4O7/c1-33-19-3-2-15(14-18(19)27-13-8-20(28)24-22(27)30)21(29)25-9-4-16(5-10-25)34-17-6-11-26(12-7-17)23(31)32/h2-3,14,16-17H,4-13H2,1H3,(H,31,32)(H,24,28,30)
InChIKeyUCWFEBDJXDPWTI-UHFFFAOYSA-N
XLogP1.91
TPSA128.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid 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

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-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
1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
CID 172604784
1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 165372779
1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one
CID 169241630
benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate
CID 167439984
N-[[1-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidine-4-carbonyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 172605009
1-[2-methoxy-5-(2,3,4,5,6-pentafluorobenzoyl)phenyl]-1,3-diazinane-2,4-dione
CID 171521582
phenyl 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoate
CID 175264333
tert-butyl 6-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperazin-1-yl]hexanoate
CID 164851150
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide
CID 172604568

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid (CID 139534480) is 4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid is COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)O)CC3)CC2)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is UCWFEBDJXDPWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O7/c1-33-19-3-2-15(14-18(19)27-13-8-20(28)24-22(27)30)21(29)25-9-4-16(5-10-25)34-17-6-11-26(12-7-17)23(31)32/h2-3,14,16-17H,4-13H2,1H3,(H,31,32)(H,24,28,30).
What are the key properties of 4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid?
4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 474.51 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 139534480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).