[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone

C24H30N2O3 — CID 155800929

IUPAC[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCc1cnccc1OCC1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C24H30N2O3/c1-19-17-25-12-7-22(19)29-18-20-8-13-26(14-9-20)23(27)24(10-15-28-16-11-24)21-5-3-2-4-6-21/h2-7,12,17,20H,8-11,13-16,18H2,1H3
InChIKeyBYZUKEOAODJZBG-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.76
Rot. Bonds5

About [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone

[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 155800929) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID155800929
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCc1cnccc1OCC1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C24H30N2O3/c1-19-17-25-12-7-22(19)29-18-20-8-13-26(14-9-20)23(27)24(10-15-28-16-11-24)21-5-3-2-4-6-21/h2-7,12,17,20H,8-11,13-16,18H2,1H3
InChIKeyBYZUKEOAODJZBG-UHFFFAOYSA-N
XLogP3.76
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 155800929) is [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone is Cc1cnccc1OCC1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1.
What is the InChIKey of [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is BYZUKEOAODJZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-19-17-25-12-7-22(19)29-18-20-8-13-26(14-9-20)23(27)24(10-15-28-16-11-24)21-5-3-2-4-6-21/h2-7,12,17,20H,8-11,13-16,18H2,1H3.
What are the key properties of [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 394.51 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 155800929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).