1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

C17H26N4O2 — CID 84592394

IUPAC1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(Cc2cccnc2)CC1)N1CCOCC1
InChIInChI=1S/C17H26N4O2/c22-17(21-10-12-23-13-11-21)3-5-19-6-8-20(9-7-19)15-16-2-1-4-18-14-16/h1-2,4,14H,3,5-13,15H2
InChIKeyKQDFOYIBCLPDFG-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.45
Rot. Bonds5

About 1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 84592394) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID84592394
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(Cc2cccnc2)CC1)N1CCOCC1
InChIInChI=1S/C17H26N4O2/c22-17(21-10-12-23-13-11-21)3-5-19-6-8-20(9-7-19)15-16-2-1-4-18-14-16/h1-2,4,14H,3,5-13,15H2
InChIKeyKQDFOYIBCLPDFG-UHFFFAOYSA-N
XLogP0.45
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 19572708
4-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 134045157
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one
CID 74236287
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
morpholin-4-yl-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanone
CID 134075679
3-(3,5-dimethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134033185
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 56810771
N-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 134045130
morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone
CID 134076130

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one (CID 84592394) is 1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one is O=C(CCN1CCN(Cc2cccnc2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is KQDFOYIBCLPDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-17(21-10-12-23-13-11-21)3-5-19-6-8-20(9-7-19)15-16-2-1-4-18-14-16/h1-2,4,14H,3,5-13,15H2.
What are the key properties of 1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 318.42 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 84592394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).