N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide

C14H20BrN3O — CID 81376325

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
SMILESC[C@@H](NC(=O)CN1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C14H20BrN3O/c1-11(12-3-2-4-13(15)9-12)17-14(19)10-18-7-5-16-6-8-18/h2-4,9,11,16H,5-8,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyFGBITGZCCUNVPD-LLVKDONJSA-N
MW326.24 g/mol
LogP1.53
Rot. Bonds4

About N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide

N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide (PubChem CID 81376325) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
PubChem CID81376325
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
SMILESC[C@@H](NC(=O)CN1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C14H20BrN3O/c1-11(12-3-2-4-13(15)9-12)17-14(19)10-18-7-5-16-6-8-18/h2-4,9,11,16H,5-8,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyFGBITGZCCUNVPD-LLVKDONJSA-N
XLogP1.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
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
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81359839
2-[4,7-bis[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 100946770
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940419
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404554
2-[4-[1-(3-bromophenyl)ethylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 55629444
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide (CID 81376325) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide is C[C@@H](NC(=O)CN1CCNCC1)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide?
The InChIKey is FGBITGZCCUNVPD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-11(12-3-2-4-13(15)9-12)17-14(19)10-18-7-5-16-6-8-18/h2-4,9,11,16H,5-8,10H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide has a molecular weight of 326.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 81376325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).