[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C22H34N4O3 — CID 48658257

IUPAC[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cn1
InChIInChI=1S/C22H34N4O3/c1-5-24(6-2)20-8-7-19(13-23-20)22(28)25-11-9-18(10-12-25)21(27)26-14-16(3)29-17(4)15-26/h7-8,13,16-18H,5-6,9-12,14-15H2,1-4H3
InChIKeyCSXBAGNNQPBJEI-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.42
Rot. Bonds5

About [1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 48658257) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is [1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID48658257
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cn1
InChIInChI=1S/C22H34N4O3/c1-5-24(6-2)20-8-7-19(13-23-20)22(28)25-11-9-18(10-12-25)21(27)26-14-16(3)29-17(4)15-26/h7-8,13,16-18H,5-6,9-12,14-15H2,1-4H3
InChIKeyCSXBAGNNQPBJEI-UHFFFAOYSA-N
XLogP2.42
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]acetamide
CID 48677877
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 48679733
1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 48661370
[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 51942637
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320191
1-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320192
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 51942650
N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide
CID 38935844
(2,6-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 62171862
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 104960451
[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540285
1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63007175

Frequently Asked Questions

What is the IUPAC name of [1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 48658257) is [1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CCN(CC)c1ccc(C(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cn1.
What is the InChIKey of [1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is CSXBAGNNQPBJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-5-24(6-2)20-8-7-19(13-23-20)22(28)25-11-9-18(10-12-25)21(27)26-14-16(3)29-17(4)15-26/h7-8,13,16-18H,5-6,9-12,14-15H2,1-4H3.
What are the key properties of [1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 402.54 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 48658257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).