1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide

C16H21N3O3 — CID 110086044

IUPAC1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCc2ccccc2)CC1C(N)=O
InChIInChI=1S/C16H21N3O3/c1-12(20)19-10-9-18(11-14(19)16(17)22)15(21)8-7-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H2,17,22)
InChIKeyUVOMANYHDZAQKK-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.16
Rot. Bonds4

About 1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide

1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide (PubChem CID 110086044) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
PubChem CID110086044
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCc2ccccc2)CC1C(N)=O
InChIInChI=1S/C16H21N3O3/c1-12(20)19-10-9-18(11-14(19)16(17)22)15(21)8-7-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H2,17,22)
InChIKeyUVOMANYHDZAQKK-UHFFFAOYSA-N
XLogP0.16
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide
CID 125004165
(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide
CID 124951183
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 124992020
N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086048
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl] acetate
CID 122691367

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide?
The IUPAC name of 1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide (CID 110086044) is 1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)CCc2ccccc2)CC1C(N)=O.
What is the InChIKey of 1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide?
The InChIKey is UVOMANYHDZAQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12(20)19-10-9-18(11-14(19)16(17)22)15(21)8-7-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H2,17,22).
What are the key properties of 1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide?
1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).