[4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone

C25H34N2O3 — CID 45271991

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCC(CO)CC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O3/c1-18(2)26-13-9-23(10-14-26)30-24-6-5-20-15-22(4-3-21(20)16-24)25(29)27-11-7-19(17-28)8-12-27/h3-6,15-16,18-19,23,28H,7-14,17H2,1-2H3
InChIKeyUODYOJDBMQMAHX-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.94
Rot. Bonds5

About [4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone

[4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone (PubChem CID 45271991) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
PubChem CID45271991
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCC(CO)CC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O3/c1-18(2)26-13-9-23(10-14-26)30-24-6-5-20-15-22(4-3-21(20)16-24)25(29)27-11-7-19(17-28)8-12-27/h3-6,15-16,18-19,23,28H,7-14,17H2,1-2H3
InChIKeyUODYOJDBMQMAHX-UHFFFAOYSA-N
XLogP3.94
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone (CID 45271991) is [4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone is CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCC(CO)CC4)ccc3c2)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The InChIKey is UODYOJDBMQMAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-18(2)26-13-9-23(10-14-26)30-24-6-5-20-15-22(4-3-21(20)16-24)25(29)27-11-7-19(17-28)8-12-27/h3-6,15-16,18-19,23,28H,7-14,17H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
[4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone has a molecular weight of 410.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone is sourced from PubChem (CID 45271991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).