N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide

C22H27N3O3 — CID 72882861

IUPACN-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCCN(C(=O)CN2CCc3ccccc3C2)C1)c1ccco1
InChIInChI=1S/C22H27N3O3/c26-21(16-24-11-9-18-6-1-2-7-19(18)15-24)25-10-3-5-17(14-25)13-23-22(27)20-8-4-12-28-20/h1-2,4,6-8,12,17H,3,5,9-11,13-16H2,(H,23,27)
InChIKeyUJNVGVBOBDEUEQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.31
Rot. Bonds5

About N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide

N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 72882861) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID72882861
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCCN(C(=O)CN2CCc3ccccc3C2)C1)c1ccco1
InChIInChI=1S/C22H27N3O3/c26-21(16-24-11-9-18-6-1-2-7-19(18)15-24)25-10-3-5-17(14-25)13-23-22(27)20-8-4-12-28-20/h1-2,4,6-8,12,17H,3,5,9-11,13-16H2,(H,23,27)
InChIKeyUJNVGVBOBDEUEQ-UHFFFAOYSA-N
XLogP2.31
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282973
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide
CID 39614119
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45222892
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
N-[[(3S)-1-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97283148
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97121231
N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 38552373
N-[[(3S)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 26329221

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide (CID 72882861) is N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide is O=C(NCC1CCCN(C(=O)CN2CCc3ccccc3C2)C1)c1ccco1.
What is the InChIKey of N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is UJNVGVBOBDEUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21(16-24-11-9-18-6-1-2-7-19(18)15-24)25-10-3-5-17(14-25)13-23-22(27)20-8-4-12-28-20/h1-2,4,6-8,12,17H,3,5,9-11,13-16H2,(H,23,27).
What are the key properties of N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide?
N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 72882861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).