(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone

C24H32N2O2 — CID 45271981

IUPAC(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)C4)ccc3c2)CC1
InChIInChI=1S/C24H32N2O2/c1-17(2)26-13-10-23(16-26)28-22-7-6-19-14-21(5-4-20(19)15-22)24(27)25-11-8-18(3)9-12-25/h4-7,14-15,17-18,23H,8-13,16H2,1-3H3
InChIKeyCGXLVQWDHQILQN-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.57
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone

(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone (PubChem CID 45271981) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone
PubChem CID45271981
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)C4)ccc3c2)CC1
InChIInChI=1S/C24H32N2O2/c1-17(2)26-13-10-23(16-26)28-22-7-6-19-14-21(5-4-20(19)15-22)24(27)25-11-8-18(3)9-12-25/h4-7,14-15,17-18,23H,8-13,16H2,1-3H3
InChIKeyCGXLVQWDHQILQN-UHFFFAOYSA-N
XLogP4.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carbamoyl]phenyl}-2-hydroxybutyl)-N-(2-hydroxyethyl)-5-methyl-N-(2-{4-[2-(morpholin-4-yl)ethoxy]phenyl}propan-2-yl)benzamide
CID 461077
(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 11501506
Fvxapsutpgihsl-uhfffaoysa-
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A-349821 free base
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CID 24948319
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
CID 44275807
US10174000, Example 27
CID 126622195
N,N-Diethyl-4-{[8-(2-phenoxy-ethyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-phenyl-methyl}-benzamide
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[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 44275443
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 44275508
[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]methanone
CID 44275553
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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone (CID 45271981) is (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone is CC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)C4)ccc3c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone?
The InChIKey is CGXLVQWDHQILQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17(2)26-13-10-23(16-26)28-22-7-6-19-14-21(5-4-20(19)15-22)24(27)25-11-8-18(3)9-12-25/h4-7,14-15,17-18,23H,8-13,16H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone has a molecular weight of 380.53 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]methanone is sourced from PubChem (CID 45271981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).