2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one

C19H29N3O — CID 6305993

IUPAC2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-3-16(2)18(20)19(23)22-14-12-21(13-15-22)11-7-10-17-8-5-4-6-9-17/h4-10,16,18H,3,11-15,20H2,1-2H3/b10-7+
InChIKeyQEPYHBQIBLSNLI-JXMROGBWSA-N
MW315.46 g/mol
LogP2.22
Rot. Bonds6

About 2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one

2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one (PubChem CID 6305993) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one
PubChem CID6305993
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-3-16(2)18(20)19(23)22-14-12-21(13-15-22)11-7-10-17-8-5-4-6-9-17/h4-10,16,18H,3,11-15,20H2,1-2H3/b10-7+
InChIKeyQEPYHBQIBLSNLI-JXMROGBWSA-N
XLogP2.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 6085432
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
2-(2-ethoxyethoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 60546067
4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide
CID 42704022
2-cyclopropyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110414400
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2838766
(2S)-2-naphthalen-2-yloxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 92676495
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 2301572
(2R)-2-(3,4-dimethylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 30385872
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-(2-bromophenyl)-3-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]urea
CID 42704036

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one (CID 6305993) is 2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one is CCC(C)C(N)C(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one?
The InChIKey is QEPYHBQIBLSNLI-JXMROGBWSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-16(2)18(20)19(23)22-14-12-21(13-15-22)11-7-10-17-8-5-4-6-9-17/h4-10,16,18H,3,11-15,20H2,1-2H3/b10-7+.
What are the key properties of 2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one?
2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one has a molecular weight of 315.46 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 6305993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).