N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H27N3O2 — CID 91247839

IUPACN-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN1CCN(C2CCCc3ccc(C(=O)NCc4ccco4)cc32)CC1
InChIInChI=1S/C21H27N3O2/c1-23-9-11-24(12-10-23)20-6-2-4-16-7-8-17(14-19(16)20)21(25)22-15-18-5-3-13-26-18/h3,5,7-8,13-14,20H,2,4,6,9-12,15H2,1H3,(H,22,25)
InChIKeyKMQRRLIIDHLUDY-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.83
Rot. Bonds4

About N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 91247839) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID91247839
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN1CCN(C2CCCc3ccc(C(=O)NCc4ccco4)cc32)CC1
InChIInChI=1S/C21H27N3O2/c1-23-9-11-24(12-10-23)20-6-2-4-16-7-8-17(14-19(16)20)21(25)22-15-18-5-3-13-26-18/h3,5,7-8,13-14,20H,2,4,6,9-12,15H2,1H3,(H,22,25)
InChIKeyKMQRRLIIDHLUDY-UHFFFAOYSA-N
XLogP2.83
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 11618461
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
(2S)-N-(furan-2-ylmethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9034464
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574054
3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 7686318
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711822

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 91247839) is N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CN1CCN(C2CCCc3ccc(C(=O)NCc4ccco4)cc32)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KMQRRLIIDHLUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23-9-11-24(12-10-23)20-6-2-4-16-7-8-17(14-19(16)20)21(25)22-15-18-5-3-13-26-18/h3,5,7-8,13-14,20H,2,4,6,9-12,15H2,1H3,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 91247839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).