N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide

C21H30BrN5O3 — CID 50832822

IUPACN-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESCC1CCCCN1CCNC(=O)CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C21H30BrN5O3/c1-16-4-2-3-10-25(16)11-9-23-19(28)14-26-12-13-27(15-20(26)29)21(30)24-18-7-5-17(22)6-8-18/h5-8,16H,2-4,9-15H2,1H3,(H,23,28)(H,24,30)
InChIKeyMGEBFOWJGPLJGQ-UHFFFAOYSA-N
MW480.41 g/mol
LogP2.12
Rot. Bonds6

About N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide

N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide (PubChem CID 50832822) has the molecular formula C21H30BrN5O3 and a molecular weight of 480.41 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
PubChem CID50832822
Molecular FormulaC21H30BrN5O3
Molecular Weight480.41 g/mol
Exact Mass479.15
IUPAC NameN-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESCC1CCCCN1CCNC(=O)CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C21H30BrN5O3/c1-16-4-2-3-10-25(16)11-9-23-19(28)14-26-12-13-27(15-20(26)29)21(30)24-18-7-5-17(22)6-8-18/h5-8,16H,2-4,9-15H2,1H3,(H,23,28)(H,24,30)
InChIKeyMGEBFOWJGPLJGQ-UHFFFAOYSA-N
XLogP2.12
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide with MolForge

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Related Compounds

N-(4-bromophenyl)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 93072599
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
4-[2-[3-(azepan-1-yl)propylamino]-2-oxoethyl]-N-(4-chlorophenyl)-3-oxopiperazine-1-carboxamide
CID 50831187
N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832820
N-(4-bromophenyl)-4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50833014
N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832959
N-(4-bromophenyl)-4-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50833001
N-(4-bromophenyl)-3-oxo-4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperazine-1-carboxamide
CID 93072611
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 94115247
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 92888154
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 50768020
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide (CID 50832822) is N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide is CC1CCCCN1CCNC(=O)CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O.
What is the InChIKey of N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is MGEBFOWJGPLJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30BrN5O3/c1-16-4-2-3-10-25(16)11-9-23-19(28)14-26-12-13-27(15-20(26)29)21(30)24-18-7-5-17(22)6-8-18/h5-8,16H,2-4,9-15H2,1H3,(H,23,28)(H,24,30).
What are the key properties of N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 480.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 50832822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).