(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide

C18H25N3O — CID 95628883

IUPAC(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide
SMILESCc1ccccc1[C@H](C)CC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C18H25N3O/c1-14-6-4-5-7-16(14)15(2)12-17(22)20-18(13-19)8-10-21(3)11-9-18/h4-7,15H,8-12H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyWTQWJAVDQSOZNS-OAHLLOKOSA-N
MW299.42 g/mol
LogP2.59
Rot. Bonds4

About (3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide

(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide (PubChem CID 95628883) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide
PubChem CID95628883
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide
SMILESCc1ccccc1[C@H](C)CC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C18H25N3O/c1-14-6-4-5-7-16(14)15(2)12-17(22)20-18(13-19)8-10-21(3)11-9-18/h4-7,15H,8-12H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyWTQWJAVDQSOZNS-OAHLLOKOSA-N
XLogP2.59
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
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N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
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N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide?
The IUPAC name of (3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide (CID 95628883) is (3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide.
What is the SMILES notation for (3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide?
The canonical SMILES for (3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide is Cc1ccccc1[C@H](C)CC(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of (3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide?
The InChIKey is WTQWJAVDQSOZNS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-6-4-5-7-16(14)15(2)12-17(22)20-18(13-19)8-10-21(3)11-9-18/h4-7,15H,8-12H2,1-3H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide?
(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide has a molecular weight of 299.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide is sourced from PubChem (CID 95628883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).