2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile

C23H25N3O2 — CID 74222326

IUPAC2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
SMILESCc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2C2CC2)C1
InChIInChI=1S/C23H25N3O2/c1-15-7-10-19(28-22-16(2)18(13-24)11-12-25-22)14-26(15)23(27)21-6-4-3-5-20(21)17-8-9-17/h3-6,11-12,15,17,19H,7-10,14H2,1-2H3/t15-,19-/m1/s1
InChIKeyUJLBYGRXKZZXPT-DNVCBOLYSA-N
MW375.47 g/mol
LogP4.21
Rot. Bonds4

About 2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile

2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (PubChem CID 74222326) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
PubChem CID74222326
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
SMILESCc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2C2CC2)C1
InChIInChI=1S/C23H25N3O2/c1-15-7-10-19(28-22-16(2)18(13-24)11-12-25-22)14-26(15)23(27)21-6-4-3-5-20(21)17-8-9-17/h3-6,11-12,15,17,19H,7-10,14H2,1-2H3/t15-,19-/m1/s1
InChIKeyUJLBYGRXKZZXPT-DNVCBOLYSA-N
XLogP4.21
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (CID 74222326) is 2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile is Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2C2CC2)C1.
What is the InChIKey of 2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The InChIKey is UJLBYGRXKZZXPT-DNVCBOLYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-7-10-19(28-22-16(2)18(13-24)11-12-25-22)14-26(15)23(27)21-6-4-3-5-20(21)17-8-9-17/h3-6,11-12,15,17,19H,7-10,14H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of 2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile has a molecular weight of 375.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6R)-1-(2-cyclopropylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile is sourced from PubChem (CID 74222326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).