(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide

C13H18N2O3 — CID 30830527

IUPAC(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C13H18N2O3/c1-2-14-12(16)10-4-3-6-15(8-10)13(17)11-5-7-18-9-11/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyPVZJESNBUBQPGH-JTQLQIEISA-N
MW250.30 g/mol
LogP1.27
Rot. Bonds3

About (3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide

(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 30830527) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID30830527
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C13H18N2O3/c1-2-14-12(16)10-4-3-6-15(8-10)13(17)11-5-7-18-9-11/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyPVZJESNBUBQPGH-JTQLQIEISA-N
XLogP1.27
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074
1-(furan-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3620848
(3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 51725834
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 124817203
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335
(3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 39991156
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
(2S)-2-[[(3S)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 97324282

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 30830527) is (3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide is CCNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of (3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is PVZJESNBUBQPGH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-14-12(16)10-4-3-6-15(8-10)13(17)11-5-7-18-9-11/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,16)/t10-/m0/s1.
What are the key properties of (3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide?
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 30830527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).