(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide

C17H25N3O2 — CID 124951183

IUPAC(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)CCc2ccccc2)[C@H](C(N)=O)C1
InChIInChI=1S/C17H25N3O2/c1-13(2)19-10-11-20(15(12-19)17(18)22)16(21)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,18,22)/t15-/m0/s1
InChIKeyDGHXQQJYVLFHAZ-HNNXBMFYSA-N
MW303.41 g/mol
LogP1.03
Rot. Bonds5

About (2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide

(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide (PubChem CID 124951183) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide
PubChem CID124951183
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)CCc2ccccc2)[C@H](C(N)=O)C1
InChIInChI=1S/C17H25N3O2/c1-13(2)19-10-11-20(15(12-19)17(18)22)16(21)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,18,22)/t15-/m0/s1
InChIKeyDGHXQQJYVLFHAZ-HNNXBMFYSA-N
XLogP1.03
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide (CID 124951183) is (2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide is CC(C)N1CCN(C(=O)CCc2ccccc2)[C@H](C(N)=O)C1.
What is the InChIKey of (2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is DGHXQQJYVLFHAZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)19-10-11-20(15(12-19)17(18)22)16(21)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,18,22)/t15-/m0/s1.
What are the key properties of (2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide?
(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 124951183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).