[(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium

C18H26N3O2+ — CID 6941213

IUPAC[(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium
SMILESC[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCN1C(=O)C1CC1
InChIInChI=1S/C18H25N3O2/c1-13-12-20(9-10-21(13)17(22)15-7-8-15)18(23)16(19)11-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,19H2,1H3/p+1/t13-,16-/m1/s1
InChIKeyCNQGDLLSWFDWFH-CZUORRHYSA-O
MW316.42 g/mol
LogP0.31
Rot. Bonds4

About [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium

[(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium (PubChem CID 6941213) has the molecular formula C18H26N3O2+ and a molecular weight of 316.42 g/mol. Its IUPAC name is [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium
PubChem CID6941213
Molecular FormulaC18H26N3O2+
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name[(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium
SMILESC[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCN1C(=O)C1CC1
InChIInChI=1S/C18H25N3O2/c1-13-12-20(9-10-21(13)17(22)15-7-8-15)18(23)16(19)11-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,19H2,1H3/p+1/t13-,16-/m1/s1
InChIKeyCNQGDLLSWFDWFH-CZUORRHYSA-O
XLogP0.31
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium?
The IUPAC name of [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium (CID 6941213) is [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium?
The canonical SMILES for [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium is C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCN1C(=O)C1CC1.
What is the InChIKey of [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium?
The InChIKey is CNQGDLLSWFDWFH-CZUORRHYSA-O. The full InChI is InChI=1S/C18H25N3O2/c1-13-12-20(9-10-21(13)17(22)15-7-8-15)18(23)16(19)11-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,19H2,1H3/p+1/t13-,16-/m1/s1.
What are the key properties of [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium?
[(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium has a molecular weight of 316.42 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium is sourced from PubChem (CID 6941213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).