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N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide

C26H40N4O — CID 162731126

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
SMILESCC1(C)CN(C(=O)NC2CCCC2)Cc2cc(N3CCN(C4CCCC4)CC3)ccc21
InChIInChI=1S/C26H40N4O/c1-26(2)19-30(25(31)27-21-7-3-4-8-21)18-20-17-23(11-12-24(20)26)29-15-13-28(14-16-29)22-9-5-6-10-22/h11-12,17,21-22H,3-10,13-16,18-19H2,1-2H3,(H,27,31)
InChIKeyKWFKAXAOVRRKIA-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.50
Rot. Bonds3

About N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide

N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide (PubChem CID 162731126) has the molecular formula C26H40N4O and a molecular weight of 424.63 g/mol. Its IUPAC name is N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
PubChem CID162731126
Molecular FormulaC26H40N4O
Molecular Weight424.63 g/mol
Exact Mass424.32
IUPAC NameN-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
SMILESCC1(C)CN(C(=O)NC2CCCC2)Cc2cc(N3CCN(C4CCCC4)CC3)ccc21
InChIInChI=1S/C26H40N4O/c1-26(2)19-30(25(31)27-21-7-3-4-8-21)18-20-17-23(11-12-24(20)26)29-15-13-28(14-16-29)22-9-5-6-10-22/h11-12,17,21-22H,3-10,13-16,18-19H2,1-2H3,(H,27,31)
InChIKeyKWFKAXAOVRRKIA-UHFFFAOYSA-N
XLogP4.50
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide?
The IUPAC name of N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide (CID 162731126) is N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide?
The canonical SMILES for N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide is CC1(C)CN(C(=O)NC2CCCC2)Cc2cc(N3CCN(C4CCCC4)CC3)ccc21.
What is the InChIKey of N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide?
The InChIKey is KWFKAXAOVRRKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O/c1-26(2)19-30(25(31)27-21-7-3-4-8-21)18-20-17-23(11-12-24(20)26)29-15-13-28(14-16-29)22-9-5-6-10-22/h11-12,17,21-22H,3-10,13-16,18-19H2,1-2H3,(H,27,31).
What are the key properties of N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide?
N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide has a molecular weight of 424.63 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide is sourced from PubChem (CID 162731126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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