(2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone

C22H26N2O3 — CID 78320894

IUPAC(2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone
SMILESCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3C3CC3)C2)c1
InChIInChI=1S/C22H26N2O3/c1-15-7-10-18(27-21-13-17(26-2)11-12-23-21)14-24(15)22(25)20-6-4-3-5-19(20)16-8-9-16/h3-6,11-13,15-16,18H,7-10,14H2,1-2H3/t15-,18-/m1/s1
InChIKeyGYGMDAYVLLBIMI-CRAIPNDOSA-N
MW366.46 g/mol
LogP4.04
Rot. Bonds5

About (2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone

(2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone (PubChem CID 78320894) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone
PubChem CID78320894
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone
SMILESCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3C3CC3)C2)c1
InChIInChI=1S/C22H26N2O3/c1-15-7-10-18(27-21-13-17(26-2)11-12-23-21)14-24(15)22(25)20-6-4-3-5-19(20)16-8-9-16/h3-6,11-13,15-16,18H,7-10,14H2,1-2H3/t15-,18-/m1/s1
InChIKeyGYGMDAYVLLBIMI-CRAIPNDOSA-N
XLogP4.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone (CID 78320894) is (2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone is COc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3C3CC3)C2)c1.
What is the InChIKey of (2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone?
The InChIKey is GYGMDAYVLLBIMI-CRAIPNDOSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-7-10-18(27-21-13-17(26-2)11-12-23-21)14-24(15)22(25)20-6-4-3-5-19(20)16-8-9-16/h3-6,11-13,15-16,18H,7-10,14H2,1-2H3/t15-,18-/m1/s1.
What are the key properties of (2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone?
(2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone has a molecular weight of 366.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylphenyl)-[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 78320894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).