[1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C21H34N4O2 — CID 56877882

IUPAC[1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1cc(CN2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)on1
InChIInChI=1S/C21H34N4O2/c1-2-18-14-20(27-22-18)16-23-12-7-19(8-13-23)25-11-5-6-17(15-25)21(26)24-9-3-4-10-24/h14,17,19H,2-13,15-16H2,1H3
InChIKeyVEXPVQYYUXZAEE-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.54
Rot. Bonds5

About [1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56877882) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is [1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID56877882
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name[1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1cc(CN2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)on1
InChIInChI=1S/C21H34N4O2/c1-2-18-14-20(27-22-18)16-23-12-7-19(8-13-23)25-11-5-6-17(15-25)21(26)24-9-3-4-10-24/h14,17,19H,2-13,15-16H2,1H3
InChIKeyVEXPVQYYUXZAEE-UHFFFAOYSA-N
XLogP2.54
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95557314
(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95222683
[(3R)-1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96571674
[(3S)-1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96576947
[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95463607
[(3R)-1-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95557907
pyrrolidin-1-yl-[(3S)-1-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95558373
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 56877882) is [1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is CCc1cc(CN2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)on1.
What is the InChIKey of [1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VEXPVQYYUXZAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-2-18-14-20(27-22-18)16-23-12-7-19(8-13-23)25-11-5-6-17(15-25)21(26)24-9-3-4-10-24/h14,17,19H,2-13,15-16H2,1H3.
What are the key properties of [1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 374.53 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56877882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).