N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide

C14H24BrN3O — CID 56794154

IUPACN-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESC=C(Br)CN1CCN(CCNC(=O)C2CCC2)CC1
InChIInChI=1S/C14H24BrN3O/c1-12(15)11-18-9-7-17(8-10-18)6-5-16-14(19)13-3-2-4-13/h13H,1-11H2,(H,16,19)
InChIKeyQGNHRZDABBAVAK-UHFFFAOYSA-N
MW330.27 g/mol
LogP1.43
Rot. Bonds6

About N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide

N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide (PubChem CID 56794154) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
PubChem CID56794154
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC NameN-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESC=C(Br)CN1CCN(CCNC(=O)C2CCC2)CC1
InChIInChI=1S/C14H24BrN3O/c1-12(15)11-18-9-7-17(8-10-18)6-5-16-14(19)13-3-2-4-13/h13H,1-11H2,(H,16,19)
InChIKeyQGNHRZDABBAVAK-UHFFFAOYSA-N
XLogP1.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide (CID 56794154) is N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide is C=C(Br)CN1CCN(CCNC(=O)C2CCC2)CC1.
What is the InChIKey of N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is QGNHRZDABBAVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-12(15)11-18-9-7-17(8-10-18)6-5-16-14(19)13-3-2-4-13/h13H,1-11H2,(H,16,19).
What are the key properties of N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 330.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 56794154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).