3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one

C19H27N3O4 — CID 119754722

IUPAC3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C3CNCCO3)CC2)cc1
InChIInChI=1S/C19H27N3O4/c1-25-16-5-2-15(3-6-16)4-7-18(23)21-9-11-22(12-10-21)19(24)17-14-20-8-13-26-17/h2-3,5-6,17,20H,4,7-14H2,1H3
InChIKeyNWQNXORQFFBVBN-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.29
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 119754722) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID119754722
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C3CNCCO3)CC2)cc1
InChIInChI=1S/C19H27N3O4/c1-25-16-5-2-15(3-6-16)4-7-18(23)21-9-11-22(12-10-21)19(24)17-14-20-8-13-26-17/h2-3,5-6,17,20H,4,7-14H2,1H3
InChIKeyNWQNXORQFFBVBN-UHFFFAOYSA-N
XLogP0.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119765866
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119754727
3-(4-methoxyphenyl)-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 120929520
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
3-(4-methoxyphenyl)-1-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311324
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-(morpholine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 74237629
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119829453
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311328
3-(4-methoxyphenyl)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 120626309

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one (CID 119754722) is 3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCN(C(=O)C3CNCCO3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is NWQNXORQFFBVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-16-5-2-15(3-6-16)4-7-18(23)21-9-11-22(12-10-21)19(24)17-14-20-8-13-26-17/h2-3,5-6,17,20H,4,7-14H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 361.44 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119754722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).