2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide

C17H24BrN3O — CID 51301703

IUPAC2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C17H24BrN3O/c1-13(17(22)19-16-5-6-16)21-9-7-20(8-10-21)12-14-3-2-4-15(18)11-14/h2-4,11,13,16H,5-10,12H2,1H3,(H,19,22)
InChIKeyMNKWJNMIHSAZSN-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.23
Rot. Bonds5

About 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 51301703) has the molecular formula C17H24BrN3O and a molecular weight of 366.30 g/mol. Its IUPAC name is 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID51301703
Molecular FormulaC17H24BrN3O
Molecular Weight366.30 g/mol
Exact Mass365.11
IUPAC Name2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C17H24BrN3O/c1-13(17(22)19-16-5-6-16)21-9-7-20(8-10-21)12-14-3-2-4-15(18)11-14/h2-4,11,13,16H,5-10,12H2,1H3,(H,19,22)
InChIKeyMNKWJNMIHSAZSN-UHFFFAOYSA-N
XLogP2.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 47018326
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46514218
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
N-cyclopropyl-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 78831418
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163349250
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 51301703) is 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(Cc2cccc(Br)c2)CC1.
What is the InChIKey of 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is MNKWJNMIHSAZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O/c1-13(17(22)19-16-5-6-16)21-9-7-20(8-10-21)12-14-3-2-4-15(18)11-14/h2-4,11,13,16H,5-10,12H2,1H3,(H,19,22).
What are the key properties of 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 366.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 51301703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).