azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide

C20H29F2N5O3 — CID 145108881

IUPACazetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
SMILESC1CNC1.CC(=O)NC(=O)NCC(C)C(=O)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2N4O3.C3H7N/c1-11(10-20-17(26)21-12(2)24)16(25)23-7-5-22(6-8-23)13-3-4-14(18)15(19)9-13;1-2-4-3-1/h3-4,9,11H,5-8,10H2,1-2H3,(H2,20,21,24,26);4H,1-3H2
InChIKeyOBPKGPMQABKVSU-UHFFFAOYSA-N
MW425.48 g/mol
LogP1.07
Rot. Bonds4

About azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide

azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide (PubChem CID 145108881) has the molecular formula C20H29F2N5O3 and a molecular weight of 425.48 g/mol. Its IUPAC name is azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide.

Molecular Properties

Compound Nameazetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
PubChem CID145108881
Molecular FormulaC20H29F2N5O3
Molecular Weight425.48 g/mol
Exact Mass425.22
IUPAC Nameazetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
SMILESC1CNC1.CC(=O)NC(=O)NCC(C)C(=O)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2N4O3.C3H7N/c1-11(10-20-17(26)21-12(2)24)16(25)23-7-5-22(6-8-23)13-3-4-14(18)15(19)9-13;1-2-4-3-1/h3-4,9,11H,5-8,10H2,1-2H3,(H2,20,21,24,26);4H,1-3H2
InChIKeyOBPKGPMQABKVSU-UHFFFAOYSA-N
XLogP1.07
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide?
The IUPAC name of azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide (CID 145108881) is azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide.
What is the SMILES notation for azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide?
The canonical SMILES for azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide is C1CNC1.CC(=O)NC(=O)NCC(C)C(=O)N1CCN(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide?
The InChIKey is OBPKGPMQABKVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O3.C3H7N/c1-11(10-20-17(26)21-12(2)24)16(25)23-7-5-22(6-8-23)13-3-4-14(18)15(19)9-13;1-2-4-3-1/h3-4,9,11H,5-8,10H2,1-2H3,(H2,20,21,24,26);4H,1-3H2.
What are the key properties of azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide?
azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide has a molecular weight of 425.48 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide is sourced from PubChem (CID 145108881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).