1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone

C19H29N3O2 — CID 47014088

IUPAC1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCCc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C19H29N3O2/c23-19(22-13-15-24-16-14-22)17-21-11-9-20(10-12-21)8-4-7-18-5-2-1-3-6-18/h1-3,5-6H,4,7-17H2
InChIKeyNCGNXYHKMJHPLI-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.10
Rot. Bonds6

About 1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone

1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone (PubChem CID 47014088) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
PubChem CID47014088
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCCc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C19H29N3O2/c23-19(22-13-15-24-16-14-22)17-21-11-9-20(10-12-21)8-4-7-18-5-2-1-3-6-18/h1-3,5-6H,4,7-17H2
InChIKeyNCGNXYHKMJHPLI-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

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 30653596
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
2-chloro-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 12563664
2-morpholin-4-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]ethanone
CID 91651791
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43396296
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
(5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 40803564
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
N-benzyl-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 24664690

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone (CID 47014088) is 1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone is O=C(CN1CCN(CCCc2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone?
The InChIKey is NCGNXYHKMJHPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(22-13-15-24-16-14-22)17-21-11-9-20(10-12-21)8-4-7-18-5-2-1-3-6-18/h1-3,5-6H,4,7-17H2.
What are the key properties of 1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone 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-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 47014088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).