6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide

C22H30N2O2 — CID 134355613

IUPAC6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide
SMILESCC1CCN(C[C@@H](NC(=O)c2ccc3cc(O)ccc3c2)C(C)C)CC1
InChIInChI=1S/C22H30N2O2/c1-15(2)21(14-24-10-8-16(3)9-11-24)23-22(26)19-5-4-18-13-20(25)7-6-17(18)12-19/h4-7,12-13,15-16,21,25H,8-11,14H2,1-3H3,(H,23,26)/t21-/m1/s1
InChIKeyIRXBLRUTLZHJMP-OAQYLSRUSA-N
MW354.49 g/mol
LogP4.03
Rot. Bonds5

About 6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide

6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide (PubChem CID 134355613) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide
PubChem CID134355613
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide
SMILESCC1CCN(C[C@@H](NC(=O)c2ccc3cc(O)ccc3c2)C(C)C)CC1
InChIInChI=1S/C22H30N2O2/c1-15(2)21(14-24-10-8-16(3)9-11-24)23-22(26)19-5-4-18-13-20(25)7-6-17(18)12-19/h4-7,12-13,15-16,21,25H,8-11,14H2,1-3H3,(H,23,26)/t21-/m1/s1
InChIKeyIRXBLRUTLZHJMP-OAQYLSRUSA-N
XLogP4.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of 6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide (CID 134355613) is 6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for 6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide is CC1CCN(C[C@@H](NC(=O)c2ccc3cc(O)ccc3c2)C(C)C)CC1.
What is the InChIKey of 6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide?
The InChIKey is IRXBLRUTLZHJMP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-15(2)21(14-24-10-8-16(3)9-11-24)23-22(26)19-5-4-18-13-20(25)7-6-17(18)12-19/h4-7,12-13,15-16,21,25H,8-11,14H2,1-3H3,(H,23,26)/t21-/m1/s1.
What are the key properties of 6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide?
6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 134355613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).