2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C15H23N3O3 — CID 8904767

IUPAC2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(CC(=O)NC(=O)NCc2ccco2)C1
InChIInChI=1S/C15H23N3O3/c1-11-6-12(2)9-18(8-11)10-14(19)17-15(20)16-7-13-4-3-5-21-13/h3-5,11-12H,6-10H2,1-2H3,(H2,16,17,19,20)/t11-,12+
InChIKeyZWSQIZUDLPKUPB-TXEJJXNPSA-N
MW293.37 g/mol
LogP1.58
Rot. Bonds4

About 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 8904767) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID8904767
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(CC(=O)NC(=O)NCc2ccco2)C1
InChIInChI=1S/C15H23N3O3/c1-11-6-12(2)9-18(8-11)10-14(19)17-15(20)16-7-13-4-3-5-21-13/h3-5,11-12H,6-10H2,1-2H3,(H2,16,17,19,20)/t11-,12+
InChIKeyZWSQIZUDLPKUPB-TXEJJXNPSA-N
XLogP1.58
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43348702
2-(3-aminopiperidin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 61295561
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 98727445
ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8531993
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 55827797
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2123025
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540742
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2697596
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 35148049
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 36875873

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 8904767) is 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is C[C@@H]1C[C@H](C)CN(CC(=O)NC(=O)NCc2ccco2)C1.
What is the InChIKey of 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is ZWSQIZUDLPKUPB-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-6-12(2)9-18(8-11)10-14(19)17-15(20)16-7-13-4-3-5-21-13/h3-5,11-12H,6-10H2,1-2H3,(H2,16,17,19,20)/t11-,12+.
What are the key properties of 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 8904767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).