[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C22H32N4O3 — CID 96580317

IUPAC[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncoc1C1CC1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C22H32N4O3/c27-21(24-9-1-2-10-24)17-4-3-11-26(14-17)18-7-12-25(13-8-18)22(28)19-20(16-5-6-16)29-15-23-19/h15-18H,1-14H2/t17-/m0/s1
InChIKeyQEBCNFLJCUSIOA-KRWDZBQOSA-N
MW400.52 g/mol
LogP2.49
Rot. Bonds4

About [(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 96580317) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is [(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID96580317
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncoc1C1CC1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C22H32N4O3/c27-21(24-9-1-2-10-24)17-4-3-11-26(14-17)18-7-12-25(13-8-18)22(28)19-20(16-5-6-16)29-15-23-19/h15-18H,1-14H2/t17-/m0/s1
InChIKeyQEBCNFLJCUSIOA-KRWDZBQOSA-N
XLogP2.49
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551648
[1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56864360
[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95212920
[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56866262
[1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56874083
[1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56872253
[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552222
5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95563751
[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95551148
[1-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56870773
morpholin-4-yl-[(3R)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95560901
[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 22263076

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 96580317) is [(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1ncoc1C1CC1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of [(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QEBCNFLJCUSIOA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H32N4O3/c27-21(24-9-1-2-10-24)17-4-3-11-26(14-17)18-7-12-25(13-8-18)22(28)19-20(16-5-6-16)29-15-23-19/h15-18H,1-14H2/t17-/m0/s1.
What are the key properties of [(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 400.52 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 96580317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).