[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone

C20H31N3O3 — CID 74248102

IUPAC[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(C2CCOCC2)CC1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H31N3O3/c24-20(17-3-7-22(8-4-17)18-5-14-25-15-6-18)23-11-9-21(10-12-23)16-19-2-1-13-26-19/h1-2,13,17-18H,3-12,14-16H2
InChIKeyGRPYTVGVTLHHRN-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.81
Rot. Bonds4

About [4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone

[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone (PubChem CID 74248102) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is [4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
PubChem CID74248102
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(C2CCOCC2)CC1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H31N3O3/c24-20(17-3-7-22(8-4-17)18-5-14-25-15-6-18)23-11-9-21(10-12-23)16-19-2-1-13-26-19/h1-2,13,17-18H,3-12,14-16H2
InChIKeyGRPYTVGVTLHHRN-UHFFFAOYSA-N
XLogP1.81
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 133120871
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
[1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42457414
(E)-1-[4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 86913295
[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106739296
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56915482
[4-(furan-2-ylmethyl)piperazin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97284491
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97201180
(7R,10aS)-2-(cyclopropanecarbonyl)-9-(furan-2-ylmethyl)-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 97459480
[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 86873761
N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74234608

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone (CID 74248102) is [4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(C2CCOCC2)CC1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of [4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone?
The InChIKey is GRPYTVGVTLHHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c24-20(17-3-7-22(8-4-17)18-5-14-25-15-6-18)23-11-9-21(10-12-23)16-19-2-1-13-26-19/h1-2,13,17-18H,3-12,14-16H2.
What are the key properties of [4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone?
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 74248102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).