(5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one

C19H28N2O2 — CID 97113647

IUPAC(5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one
SMILESCOc1ccccc1[C@H](N[C@@H]1CCC(=O)N(C)C1)C1CCCC1
InChIInChI=1S/C19H28N2O2/c1-21-13-15(11-12-18(21)22)20-19(14-7-3-4-8-14)16-9-5-6-10-17(16)23-2/h5-6,9-10,14-15,19-20H,3-4,7-8,11-13H2,1-2H3/t15-,19-/m1/s1
InChIKeyAKEWYXYTFMEQLO-DNVCBOLYSA-N
MW316.44 g/mol
LogP3.14
Rot. Bonds5

About (5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one

(5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one (PubChem CID 97113647) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one
PubChem CID97113647
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one
SMILESCOc1ccccc1[C@H](N[C@@H]1CCC(=O)N(C)C1)C1CCCC1
InChIInChI=1S/C19H28N2O2/c1-21-13-15(11-12-18(21)22)20-19(14-7-3-4-8-14)16-9-5-6-10-17(16)23-2/h5-6,9-10,14-15,19-20H,3-4,7-8,11-13H2,1-2H3/t15-,19-/m1/s1
InChIKeyAKEWYXYTFMEQLO-DNVCBOLYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one?
The IUPAC name of (5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one (CID 97113647) is (5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one.
What is the SMILES notation for (5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one?
The canonical SMILES for (5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one is COc1ccccc1[C@H](N[C@@H]1CCC(=O)N(C)C1)C1CCCC1.
What is the InChIKey of (5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one?
The InChIKey is AKEWYXYTFMEQLO-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-21-13-15(11-12-18(21)22)20-19(14-7-3-4-8-14)16-9-5-6-10-17(16)23-2/h5-6,9-10,14-15,19-20H,3-4,7-8,11-13H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of (5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one?
(5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one has a molecular weight of 316.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[(R)-cyclopentyl-(2-methoxyphenyl)methyl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 97113647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).