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

C14H19N3O2 — CID 57085481

IUPAC4-(3-phenylpropanoyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C14H19N3O2/c15-14(19)17-10-8-16(9-11-17)13(18)7-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,19)
InChIKeyCZTWNZODFBRSPI-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.84
Rot. Bonds3

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

4-(3-phenylpropanoyl)piperazine-1-carboxamide (PubChem CID 57085481) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(3-phenylpropanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-phenylpropanoyl)piperazine-1-carboxamide
PubChem CID57085481
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(3-phenylpropanoyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C14H19N3O2/c15-14(19)17-10-8-16(9-11-17)13(18)7-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,19)
InChIKeyCZTWNZODFBRSPI-UHFFFAOYSA-N
XLogP0.84
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
CID 32502208
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075
1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113079354
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropanoyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-phenylpropanoyl)piperazine-1-carboxamide (CID 57085481) is 4-(3-phenylpropanoyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-phenylpropanoyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-phenylpropanoyl)piperazine-1-carboxamide is NC(=O)N1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 4-(3-phenylpropanoyl)piperazine-1-carboxamide?
The InChIKey is CZTWNZODFBRSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14(19)17-10-8-16(9-11-17)13(18)7-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,19).
What are the key properties of 4-(3-phenylpropanoyl)piperazine-1-carboxamide?
4-(3-phenylpropanoyl)piperazine-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 57085481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).