(3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide

C15H20N2O3 — CID 124731254

IUPAC(3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C15H20N2O3/c1-9-4-5-10(14(16)18)8-17(9)15(19)12-7-11(12)13-3-2-6-20-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H2,16,18)/t9-,10+,11+,12+/m1/s1
InChIKeyISHYXLRWOVFKRZ-RHYQMDGZSA-N
MW276.34 g/mol
LogP1.50
Rot. Bonds3

About (3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide

(3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide (PubChem CID 124731254) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide
PubChem CID124731254
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C15H20N2O3/c1-9-4-5-10(14(16)18)8-17(9)15(19)12-7-11(12)13-3-2-6-20-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H2,16,18)/t9-,10+,11+,12+/m1/s1
InChIKeyISHYXLRWOVFKRZ-RHYQMDGZSA-N
XLogP1.50
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

3-(Furan-2-yl)-1-(4-(methoxymethyl)piperidin-1-yl)propan-1-one
CID 56788477
1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide
CID 94480432
N-cyclopropyl-1'-[3-(5-methyl-2-furyl)butyl]-1,4'-bipiperidine-4-carboxamide
CID 45205927
3-(Furan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 40054400
1-[2-(Furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide
CID 47451854
[2-(Furan-2-yl)cyclopropyl]-[2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]methanone
CID 53567133
[2-(Furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 71875449
(2,4-Dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone
CID 71877397
5-[[[2-(Furan-2-yl)cyclopropanecarbonyl]amino]methyl]oxolane-2-carboxamide
CID 71919222
2-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 71936590
Tert-butyl 4-[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]-3-oxopiperazine-1-carboxylate
CID 86801428
1-[3-(5-Methyl-2-furyl)butyl]-4-piperidinecarboxamide
CID 44828082

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide (CID 124731254) is (3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide is C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@@H]1c1ccco1.
What is the InChIKey of (3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is ISHYXLRWOVFKRZ-RHYQMDGZSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-4-5-10(14(16)18)8-17(9)15(19)12-7-11(12)13-3-2-6-20-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H2,16,18)/t9-,10+,11+,12+/m1/s1.
What are the key properties of (3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide?
(3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 124731254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).