[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

C20H31N5O2 — CID 118166529

IUPAC[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESC[C@@H]1CCCN(C2CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)C1
InChIInChI=1S/C20H31N5O2/c1-16-3-2-6-25(15-16)18-4-7-23(8-5-18)19(26)17-13-21-20(22-14-17)24-9-11-27-12-10-24/h13-14,16,18H,2-12,15H2,1H3/t16-/m1/s1
InChIKeyMEMMQXNTFHSPPW-MRXNPFEDSA-N
MW373.50 g/mol
LogP1.65
Rot. Bonds3

About [4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (PubChem CID 118166529) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
PubChem CID118166529
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESC[C@@H]1CCCN(C2CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)C1
InChIInChI=1S/C20H31N5O2/c1-16-3-2-6-25(15-16)18-4-7-23(8-5-18)19(26)17-13-21-20(22-14-17)24-9-11-27-12-10-24/h13-14,16,18H,2-12,15H2,1H3/t16-/m1/s1
InChIKeyMEMMQXNTFHSPPW-MRXNPFEDSA-N
XLogP1.65
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (CID 118166529) is [4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is C[C@@H]1CCCN(C2CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)C1.
What is the InChIKey of [4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is MEMMQXNTFHSPPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-16-3-2-6-25(15-16)18-4-7-23(8-5-18)19(26)17-13-21-20(22-14-17)24-9-11-27-12-10-24/h13-14,16,18H,2-12,15H2,1H3/t16-/m1/s1.
What are the key properties of [4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 373.50 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 118166529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).