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

C16H25N3O2 — CID 106739296

IUPAC[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone
SMILESCC1CC(C(=O)N2CCN(Cc3ccco3)CC2)CCN1
InChIInChI=1S/C16H25N3O2/c1-13-11-14(4-5-17-13)16(20)19-8-6-18(7-9-19)12-15-3-2-10-21-15/h2-3,10,13-14,17H,4-9,11-12H2,1H3
InChIKeyWZMVZBPQSRGTEM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.31
Rot. Bonds3

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

[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone (PubChem CID 106739296) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone
PubChem CID106739296
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone
SMILESCC1CC(C(=O)N2CCN(Cc3ccco3)CC2)CCN1
InChIInChI=1S/C16H25N3O2/c1-13-11-14(4-5-17-13)16(20)19-8-6-18(7-9-19)12-15-3-2-10-21-15/h2-3,10,13-14,17H,4-9,11-12H2,1H3
InChIKeyWZMVZBPQSRGTEM-UHFFFAOYSA-N
XLogP1.31
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631483
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 120636383
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;hydrochloride
CID 120631837
[4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone
CID 61213622
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120631128
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 86902965
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;dihydrochloride
CID 120644122
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120632580
[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636123
[4-(furan-2-ylmethyl)piperazin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97284491

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone?
The IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone (CID 106739296) is [4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone is CC1CC(C(=O)N2CCN(Cc3ccco3)CC2)CCN1.
What is the InChIKey of [4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone?
The InChIKey is WZMVZBPQSRGTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-11-14(4-5-17-13)16(20)19-8-6-18(7-9-19)12-15-3-2-10-21-15/h2-3,10,13-14,17H,4-9,11-12H2,1H3.
What are the key properties of [4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone?
[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 106739296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).