N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide

C18H25BrN4O3 — CID 50832959

IUPACN-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESCCCCN(C)C(=O)CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C18H25BrN4O3/c1-3-4-9-21(2)16(24)12-22-10-11-23(13-17(22)25)18(26)20-15-7-5-14(19)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,20,26)
InChIKeyGNXVLEMVHHTBTP-UHFFFAOYSA-N
MW425.33 g/mol
LogP2.38
Rot. Bonds6

About N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide

N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide (PubChem CID 50832959) has the molecular formula C18H25BrN4O3 and a molecular weight of 425.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
PubChem CID50832959
Molecular FormulaC18H25BrN4O3
Molecular Weight425.33 g/mol
Exact Mass424.11
IUPAC NameN-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESCCCCN(C)C(=O)CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C18H25BrN4O3/c1-3-4-9-21(2)16(24)12-22-10-11-23(13-17(22)25)18(26)20-15-7-5-14(19)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,20,26)
InChIKeyGNXVLEMVHHTBTP-UHFFFAOYSA-N
XLogP2.38
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)-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-(2,4-difluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50833001
N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832822
N-(4-bromophenyl)-3-oxo-4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperazine-1-carboxamide
CID 93072611
methyl 2-[4-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]phenoxy]acetate
CID 72843140
1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149942
N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831289
4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 93072588
3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
CID 50831233
4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 50831198

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide (CID 50832959) is N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide is CCCCN(C)C(=O)CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O.
What is the InChIKey of N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is GNXVLEMVHHTBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN4O3/c1-3-4-9-21(2)16(24)12-22-10-11-23(13-17(22)25)18(26)20-15-7-5-14(19)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,20,26).
What are the key properties of N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 425.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 50832959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).