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

C20H29N5O2 — CID 72917725

IUPAC[(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CNC[C@H](C(=O)N2CCC(c3ccncn3)CC2)C1)N1CCCC1
InChIInChI=1S/C20H29N5O2/c26-19(24-7-1-2-8-24)16-11-17(13-22-12-16)20(27)25-9-4-15(5-10-25)18-3-6-21-14-23-18/h3,6,14-17,22H,1-2,4-5,7-13H2/t16-,17-/m1/s1
InChIKeyCDTGVSRZWIDVBU-IAGOWNOFSA-N
MW371.49 g/mol
LogP1.03
Rot. Bonds3

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

[(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72917725) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is [(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID72917725
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name[(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CNC[C@H](C(=O)N2CCC(c3ccncn3)CC2)C1)N1CCCC1
InChIInChI=1S/C20H29N5O2/c26-19(24-7-1-2-8-24)16-11-17(13-22-12-16)20(27)25-9-4-15(5-10-25)18-3-6-21-14-23-18/h3,6,14-17,22H,1-2,4-5,7-13H2/t16-,17-/m1/s1
InChIKeyCDTGVSRZWIDVBU-IAGOWNOFSA-N
XLogP1.03
TPSA78.43 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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone
CID 156606511
pyrrolidin-1-yl-[(3S,5S)-5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone
CID 133118108
[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 124755369
(5-hydroxy-2-pyridinyl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 154846130
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
(2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 128715968
cyclopentyl-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 46953462
3-pyrimidin-4-ylazetidine-1-carbothioic S-acid
CID 155738169
4-pyrazolidin-4-ylpyrimidine
CID 71650386
2-(3-fluorophenyl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 118775431
(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
CID 166262556

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 72917725) is [(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1CNC[C@H](C(=O)N2CCC(c3ccncn3)CC2)C1)N1CCCC1.
What is the InChIKey of [(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CDTGVSRZWIDVBU-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H29N5O2/c26-19(24-7-1-2-8-24)16-11-17(13-22-12-16)20(27)25-9-4-15(5-10-25)18-3-6-21-14-23-18/h3,6,14-17,22H,1-2,4-5,7-13H2/t16-,17-/m1/s1.
What are the key properties of [(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 371.49 g/mol, XLogP of 1.03, 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-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72917725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).