N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide

C21H23ClN2O3 — CID 97282357

IUPACN-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@@H]1CCCN(CC2=Cc3cc(Cl)ccc3OC2)C1)c1ccco1
InChIInChI=1S/C21H23ClN2O3/c22-18-5-6-19-17(10-18)9-16(14-27-19)13-24-7-1-3-15(12-24)11-23-21(25)20-4-2-8-26-20/h2,4-6,8-10,15H,1,3,7,11-14H2,(H,23,25)/t15-/m0/s1
InChIKeyLEUKBHSMILAKJK-HNNXBMFYSA-N
MW386.88 g/mol
LogP3.85
Rot. Bonds5

About N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide

N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 97282357) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID97282357
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@@H]1CCCN(CC2=Cc3cc(Cl)ccc3OC2)C1)c1ccco1
InChIInChI=1S/C21H23ClN2O3/c22-18-5-6-19-17(10-18)9-16(14-27-19)13-24-7-1-3-15(12-24)11-23-21(25)20-4-2-8-26-20/h2,4-6,8-10,15H,1,3,7,11-14H2,(H,23,25)/t15-/m0/s1
InChIKeyLEUKBHSMILAKJK-HNNXBMFYSA-N
XLogP3.85
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
N-[[(3S)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 26329221
N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 124726563
N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 166256117
N-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 45199299
N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 72882861
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 77092347
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
[4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 134700369
N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
CID 42355799
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide (CID 97282357) is N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide is O=C(NC[C@@H]1CCCN(CC2=Cc3cc(Cl)ccc3OC2)C1)c1ccco1.
What is the InChIKey of N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is LEUKBHSMILAKJK-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-18-5-6-19-17(10-18)9-16(14-27-19)13-24-7-1-3-15(12-24)11-23-21(25)20-4-2-8-26-20/h2,4-6,8-10,15H,1,3,7,11-14H2,(H,23,25)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 97282357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).