N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide

C23H29N3O — CID 72846881

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide
SMILESO=C(NCCN1CCc2ccccc2C1)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C23H29N3O/c27-23(20-9-7-19(8-10-20)21-6-3-12-24-16-21)25-13-15-26-14-11-18-4-1-2-5-22(18)17-26/h1-2,4-5,7-10,21,24H,3,6,11-17H2,(H,25,27)
InChIKeyFETJGAUZANORPY-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide (PubChem CID 72846881) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide
PubChem CID72846881
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide
SMILESO=C(NCCN1CCc2ccccc2C1)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C23H29N3O/c27-23(20-9-7-19(8-10-20)21-6-3-12-24-16-21)25-13-15-26-14-11-18-4-1-2-5-22(18)17-26/h1-2,4-5,7-10,21,24H,3,6,11-17H2,(H,25,27)
InChIKeyFETJGAUZANORPY-UHFFFAOYSA-N
XLogP2.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide
CID 38552982
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 119850140
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97188381
N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide
CID 99928855
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 71271945
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(R)-methylsulfinyl]benzamide
CID 37495319
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 110442787
2-[(4-cyclohexylbenzoyl)amino]-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide
CID 22004573
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
CID 77084725
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide (CID 72846881) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide is O=C(NCCN1CCc2ccccc2C1)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide?
The InChIKey is FETJGAUZANORPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(20-9-7-19(8-10-20)21-6-3-12-24-16-21)25-13-15-26-14-11-18-4-1-2-5-22(18)17-26/h1-2,4-5,7-10,21,24H,3,6,11-17H2,(H,25,27).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide has a molecular weight of 363.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide is sourced from PubChem (CID 72846881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).