[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C20H29N5O2 — CID 134035000

IUPAC[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(C(=O)C2CCCN(c3ncccn3)C2)CC1)N1CCCC1
InChIInChI=1S/C20H29N5O2/c26-18(23-10-1-2-11-23)16-6-13-24(14-7-16)19(27)17-5-3-12-25(15-17)20-21-8-4-9-22-20/h4,8-9,16-17H,1-3,5-7,10-15H2
InChIKeyGLYAGABCHKPFEU-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.55
Rot. Bonds3

About [1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134035000) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is [1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID134035000
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(C(=O)C2CCCN(c3ncccn3)C2)CC1)N1CCCC1
InChIInChI=1S/C20H29N5O2/c26-18(23-10-1-2-11-23)16-6-13-24(14-7-16)19(27)17-5-3-12-25(15-17)20-21-8-4-9-22-20/h4,8-9,16-17H,1-3,5-7,10-15H2
InChIKeyGLYAGABCHKPFEU-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 134035000) is [1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(C(=O)C2CCCN(c3ncccn3)C2)CC1)N1CCCC1.
What is the InChIKey of [1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GLYAGABCHKPFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c26-18(23-10-1-2-11-23)16-6-13-24(14-7-16)19(27)17-5-3-12-25(15-17)20-21-8-4-9-22-20/h4,8-9,16-17H,1-3,5-7,10-15H2.
What are the key properties of [1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 371.49 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134035000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).