N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide

C18H27N3O2 — CID 110086048

IUPACN-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCc2ccccc2)CCN1C(C)C
InChIInChI=1S/C18H27N3O2/c1-14(2)21-12-11-20(13-16(21)18(23)19-3)17(22)10-9-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,19,23)
InChIKeyOVCJWZHWBSKFDC-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.29
Rot. Bonds5

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

N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 110086048) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID110086048
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCc2ccccc2)CCN1C(C)C
InChIInChI=1S/C18H27N3O2/c1-14(2)21-12-11-20(13-16(21)18(23)19-3)17(22)10-9-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,19,23)
InChIKeyOVCJWZHWBSKFDC-UHFFFAOYSA-N
XLogP1.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124948534
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124940245
4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086321
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 110086044
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086102
(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 124992020
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241645

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide (CID 110086048) is N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide is CNC(=O)C1CN(C(=O)CCc2ccccc2)CCN1C(C)C.
What is the InChIKey of N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is OVCJWZHWBSKFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)21-12-11-20(13-16(21)18(23)19-3)17(22)10-9-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,19,23).
What are the key properties of N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide?
N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 110086048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).