N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H22N2O — CID 114546203

IUPACN-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC1CCC(NC(=O)C2CNCc3ccccc32)C1
InChIInChI=1S/C16H22N2O/c1-11-6-7-13(8-11)18-16(19)15-10-17-9-12-4-2-3-5-14(12)15/h2-5,11,13,15,17H,6-10H2,1H3,(H,18,19)
InChIKeyYFAWGOWTCWJYOX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.18
Rot. Bonds2

About N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 114546203) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID114546203
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC1CCC(NC(=O)C2CNCc3ccccc32)C1
InChIInChI=1S/C16H22N2O/c1-11-6-7-13(8-11)18-16(19)15-10-17-9-12-4-2-3-5-14(12)15/h2-5,11,13,15,17H,6-10H2,1H3,(H,18,19)
InChIKeyYFAWGOWTCWJYOX-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 114546203) is N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CC1CCC(NC(=O)C2CNCc3ccccc32)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is YFAWGOWTCWJYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-6-7-13(8-11)18-16(19)15-10-17-9-12-4-2-3-5-14(12)15/h2-5,11,13,15,17H,6-10H2,1H3,(H,18,19).
What are the key properties of N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 114546203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).