(5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone

C18H27ClN4O3 — CID 97333073

IUPAC(5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone
SMILESC[C@@H]1CN(CCOC2CCN(C(=O)c3ncncc3Cl)CC2)C[C@H](C)O1
InChIInChI=1S/C18H27ClN4O3/c1-13-10-22(11-14(2)26-13)7-8-25-15-3-5-23(6-4-15)18(24)17-16(19)9-20-12-21-17/h9,12-15H,3-8,10-11H2,1-2H3/t13-,14+
InChIKeyFWMBAVURSYZPQQ-OKILXGFUSA-N
MW382.89 g/mol
LogP1.86
Rot. Bonds5

About (5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone

(5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone (PubChem CID 97333073) has the molecular formula C18H27ClN4O3 and a molecular weight of 382.89 g/mol. Its IUPAC name is (5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone
PubChem CID97333073
Molecular FormulaC18H27ClN4O3
Molecular Weight382.89 g/mol
Exact Mass382.18
IUPAC Name(5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone
SMILESC[C@@H]1CN(CCOC2CCN(C(=O)c3ncncc3Cl)CC2)C[C@H](C)O1
InChIInChI=1S/C18H27ClN4O3/c1-13-10-22(11-14(2)26-13)7-8-25-15-3-5-23(6-4-15)18(24)17-16(19)9-20-12-21-17/h9,12-15H,3-8,10-11H2,1-2H3/t13-,14+
InChIKeyFWMBAVURSYZPQQ-OKILXGFUSA-N
XLogP1.86
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

(5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 124614011
(5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 136515626
N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide
CID 75442082
(2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine
CID 97102416
[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91918286
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrimidine-5-carboxylic acid
CID 102974503
[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95973871
(5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone
CID 97053913
isoquinolin-1-yl-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
CID 71852203
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 118775788
4-[4-(4-chloro-2,3-dimethylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934960
4-[2-[2-(4-chloro-2,3-dimethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 2934947

Frequently Asked Questions

What is the IUPAC name of (5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone?
The IUPAC name of (5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone (CID 97333073) is (5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone?
The canonical SMILES for (5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone is C[C@@H]1CN(CCOC2CCN(C(=O)c3ncncc3Cl)CC2)C[C@H](C)O1.
What is the InChIKey of (5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone?
The InChIKey is FWMBAVURSYZPQQ-OKILXGFUSA-N. The full InChI is InChI=1S/C18H27ClN4O3/c1-13-10-22(11-14(2)26-13)7-8-25-15-3-5-23(6-4-15)18(24)17-16(19)9-20-12-21-17/h9,12-15H,3-8,10-11H2,1-2H3/t13-,14+.
What are the key properties of (5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone?
(5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone has a molecular weight of 382.89 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 97333073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).