[4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone

C18H26N6O2 — CID 129483992

About [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone

[4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone (PubChem CID 129483992) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone
• PubChem CID: 129483992
• Molecular Formula: C18H26N6O2
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.21
• IUPAC Name: [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone
• SMILES: CC(C)n1cc([C@]2(O)CCCN(C(=O)c3cc(N(C)C)ccn3)C2)nn1
• InChI: InChI=1S/C18H26N6O2/c1-13(2)24-11-16(20-21-24)18(26)7-5-9-23(12-18)17(25)15-10-14(22(3)4)6-8-19-15/h6,8,10-11,13,26H,5,7,9,12H2,1-4H3/t18-/m0/s1
• InChIKey: XVPGUBBIOPVWFR-SFHVURJKSA-N
• XLogP: 1.44
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone?

The IUPAC name of [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone (CID 129483992) is [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone?

The canonical SMILES for [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone is CC(C)n1cc([C@]2(O)CCCN(C(=O)c3cc(N(C)C)ccn3)C2)nn1.

What is the InChIKey of [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone?

The InChIKey is XVPGUBBIOPVWFR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13(2)24-11-16(20-21-24)18(26)7-5-9-23(12-18)17(25)15-10-14(22(3)4)6-8-19-15/h6,8,10-11,13,26H,5,7,9,12H2,1-4H3/t18-/m0/s1.

What are the key properties of [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone?

[4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 358.45 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129483992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).