N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

C25H30N6O4 — CID 2124466

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H30N6O4/c1-2-30(21(33)17-28-12-14-29(15-13-28)19-8-10-20(32)11-9-19)22-23(26)31(25(35)27-24(22)34)16-18-6-4-3-5-7-18/h3-11,32H,2,12-17,26H2,1H3,(H,27,34,35)
InChIKeyHYVHQTVPZMQYSA-UHFFFAOYSA-N
MW478.55 g/mol
LogP1.05
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2124466) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID2124466
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H30N6O4/c1-2-30(21(33)17-28-12-14-29(15-13-28)19-8-10-20(32)11-9-19)22-23(26)31(25(35)27-24(22)34)16-18-6-4-3-5-7-18/h3-11,32H,2,12-17,26H2,1H3,(H,27,34,35)
InChIKeyHYVHQTVPZMQYSA-UHFFFAOYSA-N
XLogP1.05
TPSA127.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[(4-Benzylpiperazine-1-carbonyl)amino]phenyl] sulfamate
CID 122184984
[4-[[4-(3-Methylphenyl)piperazine-1-carbonyl]amino]phenyl] sulfamate
CID 122184988
(2Z)-2-(acetylamino)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide
CID 5403184
2-(4-Benzyl-piperidin-1-yl)-N-(4-hydroxy-phenyl)-2-oxo-acetamide
CID 10290921
N-tert-butyl-4-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]piperazine-1-carboxamide
CID 44564868
4-benzyl-N-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 68341722
N-(4-hydroxyphenyl)-2-[5-(2-methyl-3-phenyl-2-propen-1-ylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 1566250
N-benzhydryl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2400963
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2998682
N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4881488
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 5100000
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8007471

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (CID 2124466) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is HYVHQTVPZMQYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-2-30(21(33)17-28-12-14-29(15-13-28)19-8-10-20(32)11-9-19)22-23(26)31(25(35)27-24(22)34)16-18-6-4-3-5-7-18/h3-11,32H,2,12-17,26H2,1H3,(H,27,34,35).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 478.55 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2124466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).