(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide

C17H25N3O2 — CID 124992020

IUPAC(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(C(=O)CCc2ccccc2)CCN1C
InChIInChI=1S/C17H25N3O2/c1-18(2)17(22)15-13-20(12-11-19(15)3)16(21)10-9-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3/t15-/m0/s1
InChIKeyPNJHBMZTPXPQDH-HNNXBMFYSA-N
MW303.41 g/mol
LogP0.85
Rot. Bonds4

About (2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide

(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide (PubChem CID 124992020) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
PubChem CID124992020
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(C(=O)CCc2ccccc2)CCN1C
InChIInChI=1S/C17H25N3O2/c1-18(2)17(22)15-13-20(12-11-19(15)3)16(21)10-9-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3/t15-/m0/s1
InChIKeyPNJHBMZTPXPQDH-HNNXBMFYSA-N
XLogP0.85
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[3-(2-fluorophenoxy)propanoyl]-N,N,1-trimethylpiperazine-2-carboxamide
CID 124987971
4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide
CID 110086524
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110293052
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113073570
1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 110086044
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one
CID 79659303
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
CID 32502208

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide (CID 124992020) is (2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide is CN(C)C(=O)[C@@H]1CN(C(=O)CCc2ccccc2)CCN1C.
What is the InChIKey of (2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide?
The InChIKey is PNJHBMZTPXPQDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18(2)17(22)15-13-20(12-11-19(15)3)16(21)10-9-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide?
(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide is sourced from PubChem (CID 124992020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).