N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C15H22N2O3 — CID 39992604

IUPACN-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H22N2O3/c1-3-11(2)16-14(18)12-4-7-17(8-5-12)15(19)13-6-9-20-10-13/h6,9-12H,3-5,7-8H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNEOZMCUDIPKGPC-NSHDSACASA-N
MW278.35 g/mol
LogP2.05
Rot. Bonds4

About N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 39992604) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID39992604
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H22N2O3/c1-3-11(2)16-14(18)12-4-7-17(8-5-12)15(19)13-6-9-20-10-13/h6,9-12H,3-5,7-8H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNEOZMCUDIPKGPC-NSHDSACASA-N
XLogP2.05
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide
CID 134048684
N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51113136
N-butan-2-yl-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 46071052
(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 92999981
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136516484
1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide
CID 134048628
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566755
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 39992604) is N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is NEOZMCUDIPKGPC-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-11(2)16-14(18)12-4-7-17(8-5-12)15(19)13-6-9-20-10-13/h6,9-12H,3-5,7-8H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 39992604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).