[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone

C16H23N3O3 — CID 99941257

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)[C@@H]3CNCCO3)CC2)cc1
InChIInChI=1S/C16H23N3O3/c1-21-14-4-2-13(3-5-14)18-7-9-19(10-8-18)16(20)15-12-17-6-11-22-15/h2-5,15,17H,6-12H2,1H3/t15-/m0/s1
InChIKeyUUOXVVTVBRASAT-HNNXBMFYSA-N
MW305.38 g/mol
LogP0.33
Rot. Bonds3

About [4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone (PubChem CID 99941257) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
PubChem CID99941257
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)[C@@H]3CNCCO3)CC2)cc1
InChIInChI=1S/C16H23N3O3/c1-21-14-4-2-13(3-5-14)18-7-9-19(10-8-18)16(20)15-12-17-6-11-22-15/h2-5,15,17H,6-12H2,1H3/t15-/m0/s1
InChIKeyUUOXVVTVBRASAT-HNNXBMFYSA-N
XLogP0.33
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119829453
3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 119754722
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119765866
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 98330437
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119894256
1-[4-(morpholine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 74237629
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3147861
[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone
CID 110856431
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one
CID 110682116
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119887901
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119848066
(1S,2R,3S,4S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98368835

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone (CID 99941257) is [4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone is COc1ccc(N2CCN(C(=O)[C@@H]3CNCCO3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The InChIKey is UUOXVVTVBRASAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-21-14-4-2-13(3-5-14)18-7-9-19(10-8-18)16(20)15-12-17-6-11-22-15/h2-5,15,17H,6-12H2,1H3/t15-/m0/s1.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone is sourced from PubChem (CID 99941257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).