N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C18H27N3O — CID 44579427

IUPACN-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H27N3O/c1-19(13-14-20-10-5-2-6-11-20)18(22)21-12-9-16-7-3-4-8-17(16)15-21/h3-4,7-8H,2,5-6,9-15H2,1H3
InChIKeyRFJSMYGMPMODLQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.58
Rot. Bonds3

About N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 44579427) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID44579427
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H27N3O/c1-19(13-14-20-10-5-2-6-11-20)18(22)21-12-9-16-7-3-4-8-17(16)15-21/h3-4,7-8H,2,5-6,9-15H2,1H3
InChIKeyRFJSMYGMPMODLQ-UHFFFAOYSA-N
XLogP2.58
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 44579427) is N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is RFJSMYGMPMODLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-19(13-14-20-10-5-2-6-11-20)18(22)21-12-9-16-7-3-4-8-17(16)15-21/h3-4,7-8H,2,5-6,9-15H2,1H3.
What are the key properties of N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 44579427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).