1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone

C21H33N5O3 — CID 95799193

IUPAC1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1nc(C2CCN(C(=O)CN3CCOCC3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C21H33N5O3/c1-16-17(2)22-20(23-21(16)26-9-13-29-14-10-26)18-3-5-25(6-4-18)19(27)15-24-7-11-28-12-8-24/h18H,3-15H2,1-2H3
InChIKeyNECNMAFNDLYNPN-UHFFFAOYSA-N
MW403.53 g/mol
LogP0.97
Rot. Bonds4

About 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone

1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 95799193) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID95799193
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC Name1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1nc(C2CCN(C(=O)CN3CCOCC3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C21H33N5O3/c1-16-17(2)22-20(23-21(16)26-9-13-29-14-10-26)18-3-5-25(6-4-18)19(27)15-24-7-11-28-12-8-24/h18H,3-15H2,1-2H3
InChIKeyNECNMAFNDLYNPN-UHFFFAOYSA-N
XLogP0.97
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone with MolForge

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Related Compounds

1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92595888
[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 92595893
[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95799192
6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95799244
1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
CID 95799250
cyclopropyl-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 154882571
4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine
CID 46960599
1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110263412
1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110135904
ethyl 1-(2-morpholin-4-ylacetyl)piperidine-4-carboxylate
CID 54814212
N-(4-chlorophenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250685
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone (CID 95799193) is 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone is Cc1nc(C2CCN(C(=O)CN3CCOCC3)CC2)nc(N2CCOCC2)c1C.
What is the InChIKey of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is NECNMAFNDLYNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-16-17(2)22-20(23-21(16)26-9-13-29-14-10-26)18-3-5-25(6-4-18)19(27)15-24-7-11-28-12-8-24/h18H,3-15H2,1-2H3.
What are the key properties of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 403.53 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 95799193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).