4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide

C21H32N4O2 — CID 173095090

IUPAC4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide
SMILESCCc1ccc(CCC(=O)N2CC(N3CCN(C(N)=O)CC3)C2)cc1CC
InChIInChI=1S/C21H32N4O2/c1-3-17-7-5-16(13-18(17)4-2)6-8-20(26)25-14-19(15-25)23-9-11-24(12-10-23)21(22)27/h5,7,13,19H,3-4,6,8-12,14-15H2,1-2H3,(H2,22,27)
InChIKeyPZKKXZAJPPEUCS-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.65
Rot. Bonds6

About 4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide

4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide (PubChem CID 173095090) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide
PubChem CID173095090
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide
SMILESCCc1ccc(CCC(=O)N2CC(N3CCN(C(N)=O)CC3)C2)cc1CC
InChIInChI=1S/C21H32N4O2/c1-3-17-7-5-16(13-18(17)4-2)6-8-20(26)25-14-19(15-25)23-9-11-24(12-10-23)21(22)27/h5,7,13,19H,3-4,6,8-12,14-15H2,1-2H3,(H2,22,27)
InChIKeyPZKKXZAJPPEUCS-UHFFFAOYSA-N
XLogP1.65
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[3-(3,4-diethylphenyl)propanoyl]piperidin-4-yl]piperazine-1-carboxamide
CID 173094944
4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide
CID 18452009
4-[1-[3-[3,4-bis(1,1,2,2,2-pentafluoroethyl)phenyl]propanoyl]piperidin-4-yl]piperazine-1-carboxamide
CID 173094891
1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153798
3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
CID 61116139
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide
CID 91786157
2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide
CID 173094894
1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 84579645
1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153923
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 121153357
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide (CID 173095090) is 4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide is CCc1ccc(CCC(=O)N2CC(N3CCN(C(N)=O)CC3)C2)cc1CC.
What is the InChIKey of 4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide?
The InChIKey is PZKKXZAJPPEUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-3-17-7-5-16(13-18(17)4-2)6-8-20(26)25-14-19(15-25)23-9-11-24(12-10-23)21(22)27/h5,7,13,19H,3-4,6,8-12,14-15H2,1-2H3,(H2,22,27).
What are the key properties of 4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide?
4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 173095090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).