[4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone

C35H46N2O2 — CID 68533391

IUPAC[4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone
SMILESCCCc1ccc(C(=O)N2CCC(c3ccc(OCCCN4CCCC(C)(C)C4)cc3)CC2)c2ccccc12
InChIInChI=1S/C35H46N2O2/c1-4-9-29-14-17-33(32-11-6-5-10-31(29)32)34(38)37-23-18-28(19-24-37)27-12-15-30(16-13-27)39-25-8-22-36-21-7-20-35(2,3)26-36/h5-6,10-17,28H,4,7-9,18-26H2,1-3H3
InChIKeyYFOVOPVKUGXKGP-UHFFFAOYSA-N
MW526.77 g/mol
LogP7.70
Rot. Bonds9

About [4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone

[4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone (PubChem CID 68533391) has the molecular formula C35H46N2O2 and a molecular weight of 526.77 g/mol. Its IUPAC name is [4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone
PubChem CID68533391
Molecular FormulaC35H46N2O2
Molecular Weight526.77 g/mol
Exact Mass526.36
IUPAC Name[4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone
SMILESCCCc1ccc(C(=O)N2CCC(c3ccc(OCCCN4CCCC(C)(C)C4)cc3)CC2)c2ccccc12
InChIInChI=1S/C35H46N2O2/c1-4-9-29-14-17-33(32-11-6-5-10-31(29)32)34(38)37-23-18-28(19-24-37)27-12-15-30(16-13-27)39-25-8-22-36-21-7-20-35(2,3)26-36/h5-6,10-17,28H,4,7-9,18-26H2,1-3H3
InChIKeyYFOVOPVKUGXKGP-UHFFFAOYSA-N
XLogP7.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.77
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone?
The IUPAC name of [4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone (CID 68533391) is [4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone.
What is the SMILES notation for [4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone?
The canonical SMILES for [4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone is CCCc1ccc(C(=O)N2CCC(c3ccc(OCCCN4CCCC(C)(C)C4)cc3)CC2)c2ccccc12.
What is the InChIKey of [4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone?
The InChIKey is YFOVOPVKUGXKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N2O2/c1-4-9-29-14-17-33(32-11-6-5-10-31(29)32)34(38)37-23-18-28(19-24-37)27-12-15-30(16-13-27)39-25-8-22-36-21-7-20-35(2,3)26-36/h5-6,10-17,28H,4,7-9,18-26H2,1-3H3.
What are the key properties of [4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone?
[4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone has a molecular weight of 526.77 g/mol, XLogP of 7.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperidin-1-yl]-(4-propylnaphthalen-1-yl)methanone is sourced from PubChem (CID 68533391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).