[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone

C19H31N3O3 — CID 72879174

IUPAC[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
SMILESCN(C)CC1(O)CCCN(C(=O)C2CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C19H31N3O3/c1-20(2)14-19(24)8-4-9-22(15-19)18(23)16-6-10-21(11-7-16)13-17-5-3-12-25-17/h3,5,12,16,24H,4,6-11,13-15H2,1-2H3
InChIKeySZNDGKVKIZKAFR-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.41
Rot. Bonds5

About [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone

[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone (PubChem CID 72879174) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
PubChem CID72879174
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
SMILESCN(C)CC1(O)CCCN(C(=O)C2CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C19H31N3O3/c1-20(2)14-19(24)8-4-9-22(15-19)18(23)16-6-10-21(11-7-16)13-17-5-3-12-25-17/h3,5,12,16,24H,4,6-11,13-15H2,1-2H3
InChIKeySZNDGKVKIZKAFR-UHFFFAOYSA-N
XLogP1.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

(5S)-7-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95707749
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56915482
[(4aR,8aR)-7-(furan-2-ylmethyl)-4a-hydroxy-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-cyclobutylmethanone
CID 72912623
3-[(dimethylamino)methyl]-8-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172911692
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97201180
3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol
CID 56728327
[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70758520
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 84585261
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 72840432

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone (CID 72879174) is [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone is CN(C)CC1(O)CCCN(C(=O)C2CCN(Cc3ccco3)CC2)C1.
What is the InChIKey of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is SZNDGKVKIZKAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-20(2)14-19(24)8-4-9-22(15-19)18(23)16-6-10-21(11-7-16)13-17-5-3-12-25-17/h3,5,12,16,24H,4,6-11,13-15H2,1-2H3.
What are the key properties of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 72879174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).