N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C16H24N4O4 — CID 94821891

IUPACN-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C16H24N4O4/c1-11(14(21)19-16(23)17-2)20-7-5-12(6-8-20)15(22)18-10-13-4-3-9-24-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,22)(H2,17,19,21,23)/t11-/m1/s1
InChIKeyUOASLESSLHNYCP-LLVKDONJSA-N
MW336.39 g/mol
LogP0.45
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 94821891) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID94821891
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC NameN-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C16H24N4O4/c1-11(14(21)19-16(23)17-2)20-7-5-12(6-8-20)15(22)18-10-13-4-3-9-24-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,22)(H2,17,19,21,23)/t11-/m1/s1
InChIKeyUOASLESSLHNYCP-LLVKDONJSA-N
XLogP0.45
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730735
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 42955074
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 115301891
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 46631267
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853927
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 94821891) is N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide is CNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is UOASLESSLHNYCP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-11(14(21)19-16(23)17-2)20-7-5-12(6-8-20)15(22)18-10-13-4-3-9-24-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,22)(H2,17,19,21,23)/t11-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 94821891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).