1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one

C19H29N3O2 — CID 113073687

IUPAC1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C19H29N3O2/c23-19(7-6-18-4-2-1-3-5-18)22-12-10-20(11-13-22)8-9-21-14-16-24-17-15-21/h1-5H,6-17H2
InChIKeyMAONLWKVRHJXOJ-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.10
Rot. Bonds6

About 1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 113073687) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID113073687
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C19H29N3O2/c23-19(7-6-18-4-2-1-3-5-18)22-12-10-20(11-13-22)8-9-21-14-16-24-17-15-21/h1-5H,6-17H2
InChIKeyMAONLWKVRHJXOJ-UHFFFAOYSA-N
XLogP1.10
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113073570
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 80665528
1-[4-(2-chloroethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 63393576
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600948
1-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 111916363
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 113073687) is 1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is MAONLWKVRHJXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(7-6-18-4-2-1-3-5-18)22-12-10-20(11-13-22)8-9-21-14-16-24-17-15-21/h1-5H,6-17H2.
What are the key properties of 1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 331.46 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 113073687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).