(7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one

C23H28N2O — CID 24894652

IUPAC(7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one
SMILESCc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1
InChIInChI=1S/C23H28N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19H,8-11,13-16H2,1H3/t18-/m1/s1
InChIKeyLYAALYRAVCYXJH-GOSISDBHSA-N
MW348.49 g/mol
LogP4.40
Rot. Bonds3

About (7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one

(7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one (PubChem CID 24894652) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one.

Molecular Properties

Compound Name(7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one
PubChem CID24894652
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one
SMILESCc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1
InChIInChI=1S/C23H28N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19H,8-11,13-16H2,1H3/t18-/m1/s1
InChIKeyLYAALYRAVCYXJH-GOSISDBHSA-N
XLogP4.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one?
The IUPAC name of (7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one (CID 24894652) is (7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one.
What is the SMILES notation for (7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one?
The canonical SMILES for (7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one is Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1.
What is the InChIKey of (7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one?
The InChIKey is LYAALYRAVCYXJH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19H,8-11,13-16H2,1H3/t18-/m1/s1.
What are the key properties of (7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one?
(7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one has a molecular weight of 348.49 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one is sourced from PubChem (CID 24894652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).