5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

C20H29N5O3 — CID 95563751

IUPAC5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H29N5O3/c26-18-17(12-21-14-22-18)20(28)24-10-5-16(6-11-24)25-9-3-4-15(13-25)19(27)23-7-1-2-8-23/h12,14-16H,1-11,13H2,(H,21,22,26)/t15-/m1/s1
InChIKeyLJWWBTXFASJZNV-OAHLLOKOSA-N
MW387.48 g/mol
LogP0.71
Rot. Bonds3

About 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 95563751) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID95563751
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H29N5O3/c26-18-17(12-21-14-22-18)20(28)24-10-5-16(6-11-24)25-9-3-4-15(13-25)19(27)23-7-1-2-8-23/h12,14-16H,1-11,13H2,(H,21,22,26)/t15-/m1/s1
InChIKeyLJWWBTXFASJZNV-OAHLLOKOSA-N
XLogP0.71
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56751503
[(3S)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95455770
5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110091367
[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56866262
[(3R)-1-[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558047
pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551648
[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95212920
5-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95728552
[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95551148
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317
morpholin-4-yl-[(3R)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95560901
[1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56864360

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 95563751) is 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cnc[nH]c1=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is LJWWBTXFASJZNV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N5O3/c26-18-17(12-21-14-22-18)20(28)24-10-5-16(6-11-24)25-9-3-4-15(13-25)19(27)23-7-1-2-8-23/h12,14-16H,1-11,13H2,(H,21,22,26)/t15-/m1/s1.
What are the key properties of 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 387.48 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 95563751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).