4-(2-phenylacetyl)piperazine-1-carboxamide

C13H17N3O2 — CID 21469263

IUPAC4-(2-phenylacetyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C13H17N3O2/c14-13(18)16-8-6-15(7-9-16)12(17)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,18)
InChIKeyRCAVDAVCENJINC-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.45
Rot. Bonds2

About 4-(2-phenylacetyl)piperazine-1-carboxamide

4-(2-phenylacetyl)piperazine-1-carboxamide (PubChem CID 21469263) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(2-phenylacetyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenylacetyl)piperazine-1-carboxamide
PubChem CID21469263
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(2-phenylacetyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C13H17N3O2/c14-13(18)16-8-6-15(7-9-16)12(17)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,18)
InChIKeyRCAVDAVCENJINC-UHFFFAOYSA-N
XLogP0.45
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one
CID 119708809
2-methyl-2-[4-(2-phenylacetyl)piperazin-1-yl]propanethioamide
CID 63343992
2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone
CID 108533382
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119444704
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylacetyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-phenylacetyl)piperazine-1-carboxamide (CID 21469263) is 4-(2-phenylacetyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-phenylacetyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-phenylacetyl)piperazine-1-carboxamide is NC(=O)N1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 4-(2-phenylacetyl)piperazine-1-carboxamide?
The InChIKey is RCAVDAVCENJINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13(18)16-8-6-15(7-9-16)12(17)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,18).
What are the key properties of 4-(2-phenylacetyl)piperazine-1-carboxamide?
4-(2-phenylacetyl)piperazine-1-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylacetyl)piperazine-1-carboxamide is sourced from PubChem (CID 21469263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).