[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C24H35N3O3 — CID 26315830

IUPAC[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1)N1CCCC1
InChIInChI=1S/C24H35N3O3/c28-24(27-9-1-2-10-27)20-5-13-26(14-6-20)21-7-11-25(12-8-21)18-19-3-4-22-23(17-19)30-16-15-29-22/h3-4,17,20-21H,1-2,5-16,18H2
InChIKeyUUUILGXEHYNLSE-UHFFFAOYSA-N
MW413.56 g/mol
LogP2.76
Rot. Bonds4

About [1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 26315830) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is [1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID26315830
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1)N1CCCC1
InChIInChI=1S/C24H35N3O3/c28-24(27-9-1-2-10-27)20-5-13-26(14-6-20)21-7-11-25(12-8-21)18-19-3-4-22-23(17-19)30-16-15-29-22/h3-4,17,20-21H,1-2,5-16,18H2
InChIKeyUUUILGXEHYNLSE-UHFFFAOYSA-N
XLogP2.76
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 883912
[1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42216623
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 163328033
[(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95718895
[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25455222
N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42527282
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 25448752
[1-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 29213317
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110803856
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetic acid
CID 79609676
1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 113005145
[1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42457414

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 26315830) is [1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1)N1CCCC1.
What is the InChIKey of [1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UUUILGXEHYNLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c28-24(27-9-1-2-10-27)20-5-13-26(14-6-20)21-7-11-25(12-8-21)18-19-3-4-22-23(17-19)30-16-15-29-22/h3-4,17,20-21H,1-2,5-16,18H2.
What are the key properties of [1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 413.56 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 26315830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).