[(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C20H29N5O2 — CID 72839563

IUPAC[(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CNC[C@H](C(=O)N2CCN(c3ccncc3)CC2)C1)N1CCCC1
InChIInChI=1S/C20H29N5O2/c26-19(24-7-1-2-8-24)16-13-17(15-22-14-16)20(27)25-11-9-23(10-12-25)18-3-5-21-6-4-18/h3-6,16-17,22H,1-2,7-15H2/t16-,17-/m1/s1
InChIKeyPZJYJLXVXKHQQO-IAGOWNOFSA-N
MW371.49 g/mol
LogP0.58
Rot. Bonds3

About [(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72839563) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is [(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID72839563
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name[(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CNC[C@H](C(=O)N2CCN(c3ccncc3)CC2)C1)N1CCCC1
InChIInChI=1S/C20H29N5O2/c26-19(24-7-1-2-8-24)16-13-17(15-22-14-16)20(27)25-11-9-23(10-12-25)18-3-5-21-6-4-18/h3-6,16-17,22H,1-2,7-15H2/t16-,17-/m1/s1
InChIKeyPZJYJLXVXKHQQO-IAGOWNOFSA-N
XLogP0.58
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 72839563) is [(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1CNC[C@H](C(=O)N2CCN(c3ccncc3)CC2)C1)N1CCCC1.
What is the InChIKey of [(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PZJYJLXVXKHQQO-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H29N5O2/c26-19(24-7-1-2-8-24)16-13-17(15-22-14-16)20(27)25-11-9-23(10-12-25)18-3-5-21-6-4-18/h3-6,16-17,22H,1-2,7-15H2/t16-,17-/m1/s1.
What are the key properties of [(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 371.49 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72839563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).