N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide

C21H28N2O4 — CID 74247687

IUPACN,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(C1CCCN(C2CCOCC2)C1)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C21H28N2O4/c24-21(17-4-1-9-22(14-17)18-7-12-25-13-8-18)23(15-19-5-2-10-26-19)16-20-6-3-11-27-20/h2-3,5-6,10-11,17-18H,1,4,7-9,12-16H2
InChIKeyZZLRAMZKDIMYKN-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.29
Rot. Bonds6

About N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide

N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 74247687) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID74247687
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(C1CCCN(C2CCOCC2)C1)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C21H28N2O4/c24-21(17-4-1-9-22(14-17)18-7-12-25-13-8-18)23(15-19-5-2-10-26-19)16-20-6-3-11-27-20/h2-3,5-6,10-11,17-18H,1,4,7-9,12-16H2
InChIKeyZZLRAMZKDIMYKN-UHFFFAOYSA-N
XLogP3.29
TPSA59.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 95119803
N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74234608
(3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide
CID 26320461
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 171154222
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide
CID 55451606
(3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51933773
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024928
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 46023506

Frequently Asked Questions

What is the IUPAC name of N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide (CID 74247687) is N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide is O=C(C1CCCN(C2CCOCC2)C1)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is ZZLRAMZKDIMYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c24-21(17-4-1-9-22(14-17)18-7-12-25-13-8-18)23(15-19-5-2-10-26-19)16-20-6-3-11-27-20/h2-3,5-6,10-11,17-18H,1,4,7-9,12-16H2.
What are the key properties of N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide?
N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 74247687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).