[(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

C21H33N5O2 — CID 95463750

IUPAC[(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCc1cnc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc1
InChIInChI=1S/C21H33N5O2/c1-2-17-14-22-21(23-15-17)25-8-5-19(6-9-25)26-7-3-4-18(16-26)20(27)24-10-12-28-13-11-24/h14-15,18-19H,2-13,16H2,1H3/t18-/m0/s1
InChIKeyRXPWBDYDZQAJRT-SFHVURJKSA-N
MW387.53 g/mol
LogP1.58
Rot. Bonds4

About [(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

[(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 95463750) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is [(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID95463750
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name[(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCc1cnc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc1
InChIInChI=1S/C21H33N5O2/c1-2-17-14-22-21(23-15-17)25-8-5-19(6-9-25)26-7-3-4-18(16-26)20(27)24-10-12-28-13-11-24/h14-15,18-19H,2-13,16H2,1H3/t18-/m0/s1
InChIKeyRXPWBDYDZQAJRT-SFHVURJKSA-N
XLogP1.58
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 95463750) is [(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is CCc1cnc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc1.
What is the InChIKey of [(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is RXPWBDYDZQAJRT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-2-17-14-22-21(23-15-17)25-8-5-19(6-9-25)26-7-3-4-18(16-26)20(27)24-10-12-28-13-11-24/h14-15,18-19H,2-13,16H2,1H3/t18-/m0/s1.
What are the key properties of [(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 387.53 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95463750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).