N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H33N3O — CID 51943526

IUPACN-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N1CCN(C)CC1
InChIInChI=1S/C21H33N3O/c1-16(2)20(24-12-10-23(3)11-13-24)15-22-21(25)19-9-8-17-6-4-5-7-18(17)14-19/h8-9,14,16,20H,4-7,10-13,15H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyIOUJFDDECYEAHT-HXUWFJFHSA-N
MW343.52 g/mol
LogP2.57
Rot. Bonds5

About N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 51943526) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID51943526
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC NameN-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N1CCN(C)CC1
InChIInChI=1S/C21H33N3O/c1-16(2)20(24-12-10-23(3)11-13-24)15-22-21(25)19-9-8-17-6-4-5-7-18(17)14-19/h8-9,14,16,20H,4-7,10-13,15H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyIOUJFDDECYEAHT-HXUWFJFHSA-N
XLogP2.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-(methylsulfonylmethyl)benzamide
CID 86984978
4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
CID 122145119
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 63212942
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
1-(4-bromophenyl)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
CID 112823540
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 134040587
3-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794373

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 51943526) is N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC(C)[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N1CCN(C)CC1.
What is the InChIKey of N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is IOUJFDDECYEAHT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H33N3O/c1-16(2)20(24-12-10-23(3)11-13-24)15-22-21(25)19-9-8-17-6-4-5-7-18(17)14-19/h8-9,14,16,20H,4-7,10-13,15H2,1-3H3,(H,22,25)/t20-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 343.52 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 51943526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).