N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide

C18H18ClN3O2 — CID 124726563

IUPACN-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide
SMILESN#Cc1ccc(Cl)cc1N1CCC[C@@H](CNC(=O)c2ccco2)C1
InChIInChI=1S/C18H18ClN3O2/c19-15-6-5-14(10-20)16(9-15)22-7-1-3-13(12-22)11-21-18(23)17-4-2-8-24-17/h2,4-6,8-9,13H,1,3,7,11-12H2,(H,21,23)/t13-/m0/s1
InChIKeyCCOOMFNDMDOVJC-ZDUSSCGKSA-N
MW343.81 g/mol
LogP3.45
Rot. Bonds4

About N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide

N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 124726563) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID124726563
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide
SMILESN#Cc1ccc(Cl)cc1N1CCC[C@@H](CNC(=O)c2ccco2)C1
InChIInChI=1S/C18H18ClN3O2/c19-15-6-5-14(10-20)16(9-15)22-7-1-3-13(12-22)11-21-18(23)17-4-2-8-24-17/h2,4-6,8-9,13H,1,3,7,11-12H2,(H,21,23)/t13-/m0/s1
InChIKeyCCOOMFNDMDOVJC-ZDUSSCGKSA-N
XLogP3.45
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-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

3-[1-(5-chloro-2-cyanophenyl)piperidin-3-yl]propanoic acid
CID 63083625
N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 131910940
N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282357
4-chloro-2-[3-(ethoxymethyl)piperidin-1-yl]benzonitrile
CID 133304344
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
N-[[(3S)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 26329221
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
CID 133286024
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile
CID 133304579
4-chloro-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile
CID 56793477
N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
CID 45244496

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide (CID 124726563) is N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide is N#Cc1ccc(Cl)cc1N1CCC[C@@H](CNC(=O)c2ccco2)C1.
What is the InChIKey of N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is CCOOMFNDMDOVJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-15-6-5-14(10-20)16(9-15)22-7-1-3-13(12-22)11-21-18(23)17-4-2-8-24-17/h2,4-6,8-9,13H,1,3,7,11-12H2,(H,21,23)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide?
N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 124726563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).