1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione

C24H27N5O5 — CID 172604784

IUPAC1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(CN)cc3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C24H27N5O5/c1-34-20-7-6-18(14-19(20)29-9-8-21(30)26-24(29)33)23(32)28-12-10-27(11-13-28)22(31)17-4-2-16(15-25)3-5-17/h2-7,14H,8-13,15,25H2,1H3,(H,26,30,33)
InChIKeyVWJALUFEEFAYHY-UHFFFAOYSA-N
MW465.51 g/mol
LogP1.20
Rot. Bonds5

About 1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione

1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione (PubChem CID 172604784) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
PubChem CID172604784
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC Name1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(CN)cc3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C24H27N5O5/c1-34-20-7-6-18(14-19(20)29-9-8-21(30)26-24(29)33)23(32)28-12-10-27(11-13-28)22(31)17-4-2-16(15-25)3-5-17/h2-7,14H,8-13,15,25H2,1H3,(H,26,30,33)
InChIKeyVWJALUFEEFAYHY-UHFFFAOYSA-N
XLogP1.20
TPSA125.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione with MolForge

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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
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584
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
3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3-azaspiro[5.5]undecane-9-carbaldehyde
CID 171484980
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-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]butanal
CID 162721674
1-[2-methoxy-5-(2,3,4,5,6-pentafluorobenzoyl)phenyl]-1,3-diazinane-2,4-dione
CID 171521582
1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 156707443
benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate
CID 167439984
phenyl 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoate
CID 175264333
N-[[1-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidine-4-carbonyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 172605009

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione (CID 172604784) is 1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(CN)cc3)CC2)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?
The InChIKey is VWJALUFEEFAYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-34-20-7-6-18(14-19(20)29-9-8-21(30)26-24(29)33)23(32)28-12-10-27(11-13-28)22(31)17-4-2-16(15-25)3-5-17/h2-7,14H,8-13,15,25H2,1H3,(H,26,30,33).
What are the key properties of 1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?
1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione has a molecular weight of 465.51 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 172604784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).