(2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide

C13H24BrN3O — CID 95302580

IUPAC(2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESC=C(Br)CN1CCN([C@H](C)C(=O)NC(C)C)CC1
InChIInChI=1S/C13H24BrN3O/c1-10(2)15-13(18)12(4)17-7-5-16(6-8-17)9-11(3)14/h10,12H,3,5-9H2,1-2,4H3,(H,15,18)/t12-/m1/s1
InChIKeyJULPODKIDZBEGD-GFCCVEGCSA-N
MW318.26 g/mol
LogP1.43
Rot. Bonds5

About (2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide

(2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 95302580) has the molecular formula C13H24BrN3O and a molecular weight of 318.26 g/mol. Its IUPAC name is (2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID95302580
Molecular FormulaC13H24BrN3O
Molecular Weight318.26 g/mol
Exact Mass317.11
IUPAC Name(2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESC=C(Br)CN1CCN([C@H](C)C(=O)NC(C)C)CC1
InChIInChI=1S/C13H24BrN3O/c1-10(2)15-13(18)12(4)17-7-5-16(6-8-17)9-11(3)14/h10,12H,3,5-9H2,1-2,4H3,(H,15,18)/t12-/m1/s1
InChIKeyJULPODKIDZBEGD-GFCCVEGCSA-N
XLogP1.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid
CID 62310293
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63336297
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-propan-2-ylpropanamide
CID 63310025
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344457
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605704
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696
(2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one
CID 125136122
2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 71999745
(2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide
CID 100622097
2-[4,10-bis(carboxymethyl)-7-[2-hydroxy-6-oxo-6-(propan-2-ylamino)hex-1-en-3-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 134194822
2-(4-acetylpiperidin-1-yl)-N-propan-2-ylpropanamide
CID 55258721
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340242

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide (CID 95302580) is (2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide is C=C(Br)CN1CCN([C@H](C)C(=O)NC(C)C)CC1.
What is the InChIKey of (2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is JULPODKIDZBEGD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24BrN3O/c1-10(2)15-13(18)12(4)17-7-5-16(6-8-17)9-11(3)14/h10,12H,3,5-9H2,1-2,4H3,(H,15,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
(2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 318.26 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 95302580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).