1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide

C16H26N2O4 — CID 110882093

IUPAC1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(CC(O)COCc2ccco2)CC1
InChIInChI=1S/C16H26N2O4/c1-17(2)16(20)13-5-7-18(8-6-13)10-14(19)11-21-12-15-4-3-9-22-15/h3-4,9,13-14,19H,5-8,10-12H2,1-2H3
InChIKeyOJRWKSDTZDJUPM-UHFFFAOYSA-N
MW310.39 g/mol
LogP0.96
Rot. Bonds7

About 1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide

1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 110882093) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID110882093
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(CC(O)COCc2ccco2)CC1
InChIInChI=1S/C16H26N2O4/c1-17(2)16(20)13-5-7-18(8-6-13)10-14(19)11-21-12-15-4-3-9-22-15/h3-4,9,13-14,19H,5-8,10-12H2,1-2H3
InChIKeyOJRWKSDTZDJUPM-UHFFFAOYSA-N
XLogP0.96
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 111116661
N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 32603172
1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95316604
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110882096
1-(8-azaspiro[4.5]decan-8-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 111437430
4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 3744667
1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 47005306
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 3681676
(2S)-1-(furan-2-ylmethoxy)-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124778946
(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95271858

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide (CID 110882093) is 1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(CC(O)COCc2ccco2)CC1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is OJRWKSDTZDJUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-17(2)16(20)13-5-7-18(8-6-13)10-14(19)11-21-12-15-4-3-9-22-15/h3-4,9,13-14,19H,5-8,10-12H2,1-2H3.
What are the key properties of 1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 110882093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).