1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone

C18H25N3O3 — CID 96509477

IUPAC1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)[C@H]2CCN2Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-24-14-17(22)19-9-11-20(12-10-19)18(23)16-7-8-21(16)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3/t16-/m1/s1
InChIKeyIWJOOMDAEZWJRX-MRXNPFEDSA-N
MW331.42 g/mol
LogP0.58
Rot. Bonds5

About 1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 96509477) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID96509477
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)[C@H]2CCN2Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-24-14-17(22)19-9-11-20(12-10-19)18(23)16-7-8-21(16)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3/t16-/m1/s1
InChIKeyIWJOOMDAEZWJRX-MRXNPFEDSA-N
XLogP0.58
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95160991
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
1-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-methoxyethanone
CID 133123736
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546904
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
(4-benzhydrylpiperazin-1-yl)-[(2S)-1-benzylpyrrolidin-2-yl]methanone
CID 10225228
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 70781321
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone (CID 96509477) is 1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)[C@H]2CCN2Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is IWJOOMDAEZWJRX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-14-17(22)19-9-11-20(12-10-19)18(23)16-7-8-21(16)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3/t16-/m1/s1.
What are the key properties of 1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 331.42 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 96509477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).