5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide

C14H21ClN2O2 — CID 86853139

IUPAC5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
SMILESCC1CCN(C(C)CNC(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C14H21ClN2O2/c1-10-5-7-17(8-6-10)11(2)9-16-14(18)12-3-4-13(15)19-12/h3-4,10-11H,5-9H2,1-2H3,(H,16,18)
InChIKeyQQATWUJMSPPJBI-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.78
Rot. Bonds4

About 5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide

5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide (PubChem CID 86853139) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
PubChem CID86853139
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
SMILESCC1CCN(C(C)CNC(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C14H21ClN2O2/c1-10-5-7-17(8-6-10)11(2)9-16-14(18)12-3-4-13(15)19-12/h3-4,10-11H,5-9H2,1-2H3,(H,16,18)
InChIKeyQQATWUJMSPPJBI-UHFFFAOYSA-N
XLogP2.78
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide
CID 47031083
5-chloro-N-[2-(4-methylcyclohexyl)ethyl]furan-2-carboxamide
CID 106686875
N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 112502468
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47082081
5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide
CID 107413499
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride
CID 52988526
4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
CID 110620731
3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 110620744

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide (CID 86853139) is 5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide is CC1CCN(C(C)CNC(=O)c2ccc(Cl)o2)CC1.
What is the InChIKey of 5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide?
The InChIKey is QQATWUJMSPPJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10-5-7-17(8-6-10)11(2)9-16-14(18)12-3-4-13(15)19-12/h3-4,10-11H,5-9H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide?
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 86853139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).