N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C18H27N3O — CID 22082789

IUPACN,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCN1CCN(c2cccc3c2CC(C(=O)N(C)C)CC3)CC1
InChIInChI=1S/C18H27N3O/c1-19(2)18(22)15-8-7-14-5-4-6-17(16(14)13-15)21-11-9-20(3)10-12-21/h4-6,15H,7-13H2,1-3H3
InChIKeyNOKVWMCAIKLRGD-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.63
Rot. Bonds2

About N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 22082789) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID22082789
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCN1CCN(c2cccc3c2CC(C(=O)N(C)C)CC3)CC1
InChIInChI=1S/C18H27N3O/c1-19(2)18(22)15-8-7-14-5-4-6-17(16(14)13-15)21-11-9-20(3)10-12-21/h4-6,15H,7-13H2,1-3H3
InChIKeyNOKVWMCAIKLRGD-UHFFFAOYSA-N
XLogP1.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 22082789) is N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CN1CCN(c2cccc3c2CC(C(=O)N(C)C)CC3)CC1.
What is the InChIKey of N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is NOKVWMCAIKLRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-19(2)18(22)15-8-7-14-5-4-6-17(16(14)13-15)21-11-9-20(3)10-12-21/h4-6,15H,7-13H2,1-3H3.
What are the key properties of N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 22082789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).