[1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C22H35N5O — CID 56866667

IUPAC[1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cncnc1N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C22H35N5O/c1-17(2)20-14-23-16-24-21(20)25-12-7-19(8-13-25)27-11-5-6-18(15-27)22(28)26-9-3-4-10-26/h14,16-19H,3-13,15H2,1-2H3
InChIKeyGUAXSIXJKBJDDM-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.90
Rot. Bonds4

About [1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56866667) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is [1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID56866667
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name[1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cncnc1N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C22H35N5O/c1-17(2)20-14-23-16-24-21(20)25-12-7-19(8-13-25)27-11-5-6-18(15-27)22(28)26-9-3-4-10-26/h14,16-19H,3-13,15H2,1-2H3
InChIKeyGUAXSIXJKBJDDM-UHFFFAOYSA-N
XLogP2.90
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 56866667) is [1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is CC(C)c1cncnc1N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of [1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GUAXSIXJKBJDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-17(2)20-14-23-16-24-21(20)25-12-7-19(8-13-25)27-11-5-6-18(15-27)22(28)26-9-3-4-10-26/h14,16-19H,3-13,15H2,1-2H3.
What are the key properties of [1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 385.56 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56866667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).