2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide

C15H21ClN2O3 — CID 106686097

IUPAC2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C15H21ClN2O3/c1-15(2,3)14(20)18-7-4-10(5-8-18)17-13(19)11-6-9-21-12(11)16/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,19)
InChIKeyQDHZEDNUVCSVRJ-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.70
Rot. Bonds2

About 2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide

2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide (PubChem CID 106686097) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide
PubChem CID106686097
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C15H21ClN2O3/c1-15(2,3)14(20)18-7-4-10(5-8-18)17-13(19)11-6-9-21-12(11)16/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,19)
InChIKeyQDHZEDNUVCSVRJ-UHFFFAOYSA-N
XLogP2.70
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258
N-(azetidin-3-yl)-2-chlorofuran-3-carboxamide
CID 106688544
5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552297
3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 46476936
ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106685563
1-benzyl-3-(4-chlorophenyl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 46477065
2-chloro-N-(oxan-3-yl)furan-3-carboxamide
CID 130173637
2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 106687186
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
2-chloro-N-(2-methylcyclohexyl)furan-3-carboxamide
CID 106685279
N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide
CID 154838352
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide (CID 106686097) is 2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide is CC(C)(C)C(=O)N1CCC(NC(=O)c2ccoc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide?
The InChIKey is QDHZEDNUVCSVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-15(2,3)14(20)18-7-4-10(5-8-18)17-13(19)11-6-9-21-12(11)16/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,19).
What are the key properties of 2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide?
2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 106686097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).