1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

C18H27N5O3 — CID 109185781

IUPAC1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(NCCN3CCOCC3)cn2)CC1
InChIInChI=1S/C18H27N5O3/c1-15(24)22-6-8-23(9-7-22)18(25)17-3-2-16(14-20-17)19-4-5-21-10-12-26-13-11-21/h2-3,14,19H,4-13H2,1H3
InChIKeyOIGALNYVOHWVHV-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.13
Rot. Bonds5

About 1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109185781) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109185781
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(NCCN3CCOCC3)cn2)CC1
InChIInChI=1S/C18H27N5O3/c1-15(24)22-6-8-23(9-7-22)18(25)17-3-2-16(14-20-17)19-4-5-21-10-12-26-13-11-21/h2-3,14,19H,4-13H2,1H3
InChIKeyOIGALNYVOHWVHV-UHFFFAOYSA-N
XLogP0.13
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181785
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182540
N-(2-methoxyethyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109183829
3,4-dihydro-2H-quinolin-1-yl-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]methanone
CID 109185837
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185821
morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585
(4-ethylpiperazin-1-yl)-[5-(2-morpholin-4-ylethylamino)pyrazin-2-yl]methanone
CID 109277598
N-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185855
N-[(2-fluorophenyl)methyl]-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185789
N-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185793
N-(2,4-difluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185897
2-(4-acetylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109083708

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 109185781) is 1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(NCCN3CCOCC3)cn2)CC1.
What is the InChIKey of 1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is OIGALNYVOHWVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-15(24)22-6-8-23(9-7-22)18(25)17-3-2-16(14-20-17)19-4-5-21-10-12-26-13-11-21/h2-3,14,19H,4-13H2,1H3.
What are the key properties of 1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 361.45 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109185781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).