[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C22H33N5O — CID 95552222

IUPAC[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN(C2CCN(c3cc(C4CC4)ncn3)CC2)C1)N1CCCC1
InChIInChI=1S/C22H33N5O/c28-22(26-9-1-2-10-26)18-4-3-11-27(15-18)19-7-12-25(13-8-19)21-14-20(17-5-6-17)23-16-24-21/h14,16-19H,1-13,15H2/t18-/m1/s1
InChIKeyNJOAQNRETXTJDK-GOSISDBHSA-N
MW383.54 g/mol
LogP2.66
Rot. Bonds4

About [(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95552222) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is [(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID95552222
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN(C2CCN(c3cc(C4CC4)ncn3)CC2)C1)N1CCCC1
InChIInChI=1S/C22H33N5O/c28-22(26-9-1-2-10-26)18-4-3-11-27(15-18)19-7-12-25(13-8-19)21-14-20(17-5-6-17)23-16-24-21/h14,16-19H,1-13,15H2/t18-/m1/s1
InChIKeyNJOAQNRETXTJDK-GOSISDBHSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56872253
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
[(3S)-1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95557506
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358108
[(3R)-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95539383
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357867
morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95549789
2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 95402787
[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154902521
pyrrolidin-1-yl-[(3R)-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 95558166
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335566

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 95552222) is [(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1CCCN(C2CCN(c3cc(C4CC4)ncn3)CC2)C1)N1CCCC1.
What is the InChIKey of [(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NJOAQNRETXTJDK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H33N5O/c28-22(26-9-1-2-10-26)18-4-3-11-27(15-18)19-7-12-25(13-8-19)21-14-20(17-5-6-17)23-16-24-21/h14,16-19H,1-13,15H2/t18-/m1/s1.
What are the key properties of [(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 383.54 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95552222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).