[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone

C24H31N3O2 — CID 95711804

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(C[C@@H]4CCCNC4)cc3)CC2)nc1
InChIInChI=1S/C24H31N3O2/c1-18-4-9-22(26-16-18)24(29)10-13-27(14-11-24)23(28)21-7-5-19(6-8-21)15-20-3-2-12-25-17-20/h4-9,16,20,25,29H,2-3,10-15,17H2,1H3/t20-/m0/s1
InChIKeyDGODKIUQHHZWFT-FQEVSTJZSA-N
MW393.53 g/mol
LogP3.06
Rot. Bonds4

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone (PubChem CID 95711804) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
PubChem CID95711804
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(C[C@@H]4CCCNC4)cc3)CC2)nc1
InChIInChI=1S/C24H31N3O2/c1-18-4-9-22(26-16-18)24(29)10-13-27(14-11-24)23(28)21-7-5-19(6-8-21)15-20-3-2-12-25-17-20/h4-9,16,20,25,29H,2-3,10-15,17H2,1H3/t20-/m0/s1
InChIKeyDGODKIUQHHZWFT-FQEVSTJZSA-N
XLogP3.06
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone (CID 95711804) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone is Cc1ccc(C2(O)CCN(C(=O)c3ccc(C[C@@H]4CCCNC4)cc3)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone?
The InChIKey is DGODKIUQHHZWFT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-4-9-22(26-16-18)24(29)10-13-27(14-11-24)23(28)21-7-5-19(6-8-21)15-20-3-2-12-25-17-20/h4-9,16,20,25,29H,2-3,10-15,17H2,1H3/t20-/m0/s1.
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone has a molecular weight of 393.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone is sourced from PubChem (CID 95711804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).