acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone

C18H27N3O4 — CID 171687261

IUPACacetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC(=O)O.CN1CCCC(c2ccc(C(=O)N3CCOCC3)cn2)C1
InChIInChI=1S/C16H23N3O2.C2H4O2/c1-18-6-2-3-14(12-18)15-5-4-13(11-17-15)16(20)19-7-9-21-10-8-19;1-2(3)4/h4-5,11,14H,2-3,6-10,12H2,1H3;1H3,(H,3,4)
InChIKeyIZVKUTFNGNFYBK-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.45
Rot. Bonds2

About acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone

acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 171687261) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Nameacetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID171687261
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nameacetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC(=O)O.CN1CCCC(c2ccc(C(=O)N3CCOCC3)cn2)C1
InChIInChI=1S/C16H23N3O2.C2H4O2/c1-18-6-2-3-14(12-18)15-5-4-13(11-17-15)16(20)19-7-9-21-10-8-19;1-2(3)4/h4-5,11,14H,2-3,6-10,12H2,1H3;1H3,(H,3,4)
InChIKeyIZVKUTFNGNFYBK-UHFFFAOYSA-N
XLogP1.45
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 110255712
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
[6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 95226446
[6-[(2R)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 92623624
[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 92621580
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 110264459
2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621989
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110264477
morpholin-4-yl-[6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridinyl]methanone
CID 135118221
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807
6-cyclopentylpyridine-3-carboxylic acid
CID 82403519

Frequently Asked Questions

What is the IUPAC name of acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone (CID 171687261) is acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone is CC(=O)O.CN1CCCC(c2ccc(C(=O)N3CCOCC3)cn2)C1.
What is the InChIKey of acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is IZVKUTFNGNFYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.C2H4O2/c1-18-6-2-3-14(12-18)15-5-4-13(11-17-15)16(20)19-7-9-21-10-8-19;1-2(3)4/h4-5,11,14H,2-3,6-10,12H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 349.43 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 171687261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).