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

C19H29N5O — CID 53165735

IUPAC[1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2cncnc2N2CCCCC2)CC1)N1CCCC1
InChIInChI=1S/C19H29N5O/c25-19(24-10-4-5-11-24)16-6-12-22(13-7-16)17-14-20-15-21-18(17)23-8-2-1-3-9-23/h14-16H,1-13H2
InChIKeyKWEUAZIYKSHCPJ-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.31
Rot. Bonds3

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

[1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53165735) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is [1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53165735
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name[1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2cncnc2N2CCCCC2)CC1)N1CCCC1
InChIInChI=1S/C19H29N5O/c25-19(24-10-4-5-11-24)16-6-12-22(13-7-16)17-14-20-15-21-18(17)23-8-2-1-3-9-23/h14-16H,1-13H2
InChIKeyKWEUAZIYKSHCPJ-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 53165735) is [1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2cncnc2N2CCCCC2)CC1)N1CCCC1.
What is the InChIKey of [1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KWEUAZIYKSHCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c25-19(24-10-4-5-11-24)16-6-12-22(13-7-16)17-14-20-15-21-18(17)23-8-2-1-3-9-23/h14-16H,1-13H2.
What are the key properties of [1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 343.48 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53165735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).