5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide

C13H19ClN2O2 — CID 106629633

IUPAC5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H19ClN2O2/c1-2-16(9-10-4-3-7-15-8-10)13(17)11-5-6-12(14)18-11/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyOPMUWWTXYVVZJM-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.39
Rot. Bonds4

About 5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide

5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide (PubChem CID 106629633) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
PubChem CID106629633
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H19ClN2O2/c1-2-16(9-10-4-3-7-15-8-10)13(17)11-5-6-12(14)18-11/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyOPMUWWTXYVVZJM-UHFFFAOYSA-N
XLogP2.39
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629324
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 106629294
5-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608722
N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106629268
N-ethyl-2-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)acetamide
CID 106629299
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129342748
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129342747
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide (CID 106629633) is 5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide is CCN(CC1CCCNC1)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is OPMUWWTXYVVZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-2-16(9-10-4-3-7-15-8-10)13(17)11-5-6-12(14)18-11/h5-6,10,15H,2-4,7-9H2,1H3.
What are the key properties of 5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide?
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 106629633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).