4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide

C15H19BrN4O3 — CID 167952003

IUPAC4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide
SMILESNC(=O)NC(=O)CCCN1CCNC(=O)C1c1cccc(Br)c1
InChIInChI=1S/C15H19BrN4O3/c16-11-4-1-3-10(9-11)13-14(22)18-6-8-20(13)7-2-5-12(21)19-15(17)23/h1,3-4,9,13H,2,5-8H2,(H,18,22)(H3,17,19,21,23)
InChIKeyACUUHWLPNJJDLB-UHFFFAOYSA-N
MW383.25 g/mol
LogP0.90
Rot. Bonds5

About 4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide

4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide (PubChem CID 167952003) has the molecular formula C15H19BrN4O3 and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide
PubChem CID167952003
Molecular FormulaC15H19BrN4O3
Molecular Weight383.25 g/mol
Exact Mass382.06
IUPAC Name4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide
SMILESNC(=O)NC(=O)CCCN1CCNC(=O)C1c1cccc(Br)c1
InChIInChI=1S/C15H19BrN4O3/c16-11-4-1-3-10(9-11)13-14(22)18-6-8-20(13)7-2-5-12(21)19-15(17)23/h1,3-4,9,13H,2,5-8H2,(H,18,22)(H3,17,19,21,23)
InChIKeyACUUHWLPNJJDLB-UHFFFAOYSA-N
XLogP0.90
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
CID 120850447
N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide
CID 95773132
3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide
CID 124752783
4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644743
3-[5-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanamide
CID 115946835
5-[[2-(3-methylphenyl)-3-oxopiperazin-1-yl]methyl]thiophene-2-carboxylic acid
CID 154743058
4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid
CID 63606812
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
5-(2-ethyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 63602786
4-[2-(benzenesulfonyl)ethyl]-3-phenylpiperazin-2-one
CID 122137342
N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide
CID 63595580
3-phenylpropyl 2-[1-[(3-bromobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 54791820

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide?
The IUPAC name of 4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide (CID 167952003) is 4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide.
What is the SMILES notation for 4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide?
The canonical SMILES for 4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide is NC(=O)NC(=O)CCCN1CCNC(=O)C1c1cccc(Br)c1.
What is the InChIKey of 4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide?
The InChIKey is ACUUHWLPNJJDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O3/c16-11-4-1-3-10(9-11)13-14(22)18-6-8-20(13)7-2-5-12(21)19-15(17)23/h1,3-4,9,13H,2,5-8H2,(H,18,22)(H3,17,19,21,23).
What are the key properties of 4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide?
4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide has a molecular weight of 383.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)-3-oxopiperazin-1-yl]-N-carbamoylbutanamide is sourced from PubChem (CID 167952003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).