morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone

C22H35N5O2 — CID 95549789

IUPACmorpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCC(C)c1cc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)ncn1
InChIInChI=1S/C22H35N5O2/c1-17(2)20-14-21(24-16-23-20)25-8-5-19(6-9-25)27-7-3-4-18(15-27)22(28)26-10-12-29-13-11-26/h14,16-19H,3-13,15H2,1-2H3/t18-/m0/s1
InChIKeyARURAGIAXVBGKQ-SFHVURJKSA-N
MW401.56 g/mol
LogP2.14
Rot. Bonds4

About morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone

morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 95549789) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID95549789
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Namemorpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCC(C)c1cc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)ncn1
InChIInChI=1S/C22H35N5O2/c1-17(2)20-14-21(24-16-23-20)25-8-5-19(6-9-25)27-7-3-4-18(15-27)22(28)26-10-12-29-13-11-26/h14,16-19H,3-13,15H2,1-2H3/t18-/m0/s1
InChIKeyARURAGIAXVBGKQ-SFHVURJKSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone with MolForge

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Related Compounds

[(3R)-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95539383
[(3S)-1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95557506
(3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95476929
2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 95524873
[1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56872253
[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552222
1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 95445127
[(3S)-1-[1-(2-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95551659
2-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56879348
4-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 72871048
[(3R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95463751
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone (CID 95549789) is morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone is CC(C)c1cc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)ncn1.
What is the InChIKey of morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is ARURAGIAXVBGKQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-17(2)20-14-21(24-16-23-20)25-8-5-19(6-9-25)27-7-3-4-18(15-27)22(28)26-10-12-29-13-11-26/h14,16-19H,3-13,15H2,1-2H3/t18-/m0/s1.
What are the key properties of morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone?
morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 401.56 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 95549789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).