N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide

C16H24BrN3O — CID 81352101

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)N1CCNCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O/c1-12(13-4-6-14(17)7-5-13)19-15(21)16(2,3)20-10-8-18-9-11-20/h4-7,12,18H,8-11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyAXQPJKNIPNXRSC-LBPRGKRZSA-N
MW354.29 g/mol
LogP2.31
Rot. Bonds4

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 81352101) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID81352101
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)N1CCNCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O/c1-12(13-4-6-14(17)7-5-13)19-15(21)16(2,3)20-10-8-18-9-11-20/h4-7,12,18H,8-11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyAXQPJKNIPNXRSC-LBPRGKRZSA-N
XLogP2.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 81367887
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81370303
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83200389
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81359839
2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide
CID 80547446
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 80547961
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81360069
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-2-methylbutanamide
CID 81359424
N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
CID 75833905
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80551216
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81359105

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide (CID 81352101) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide is C[C@H](NC(=O)C(C)(C)N1CCNCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is AXQPJKNIPNXRSC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-12(13-4-6-14(17)7-5-13)19-15(21)16(2,3)20-10-8-18-9-11-20/h4-7,12,18H,8-11H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 354.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 81352101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).