(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

C22H29N3O2 — CID 97269175

IUPAC(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(Cc2ccco2)C1
InChIInChI=1S/C22H29N3O2/c26-22(20-7-3-11-25(16-20)17-21-8-4-14-27-21)23-10-13-24-12-9-18-5-1-2-6-19(18)15-24/h1-2,4-6,8,14,20H,3,7,9-13,15-17H2,(H,23,26)/t20-/m0/s1
InChIKeyITXMSCXQRCIRBS-FQEVSTJZSA-N
MW367.49 g/mol
LogP2.67
Rot. Bonds6

About (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 97269175) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID97269175
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(Cc2ccco2)C1
InChIInChI=1S/C22H29N3O2/c26-22(20-7-3-11-25(16-20)17-21-8-4-14-27-21)23-10-13-24-12-9-18-5-1-2-6-19(18)15-24/h1-2,4-6,8,14,20H,3,7,9-13,15-17H2,(H,23,26)/t20-/m0/s1
InChIKeyITXMSCXQRCIRBS-FQEVSTJZSA-N
XLogP2.67
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-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

(3S)-1-(furan-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 97192941
1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide
CID 46991870
(3S)-N-[3-(benzotriazol-1-yl)propyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97204734
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
(3S)-1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97186745
(3S)-1-(furan-2-ylmethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97282886
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide;formic acid
CID 154908208
(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97210781
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 72918182
1-(furan-2-ylmethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 42881863
(3S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97282796
1-(benzenesulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-3-carboxamide
CID 133167879

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 97269175) is (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide is O=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(Cc2ccco2)C1.
What is the InChIKey of (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is ITXMSCXQRCIRBS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-22(20-7-3-11-25(16-20)17-21-8-4-14-27-21)23-10-13-24-12-9-18-5-1-2-6-19(18)15-24/h1-2,4-6,8,14,20H,3,7,9-13,15-17H2,(H,23,26)/t20-/m0/s1.
What are the key properties of (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97269175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).