ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium

C30H38N3O2+ — CID 20625302

IUPACethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium
SMILESCC[N+](C)(C)Cc1ccc(CN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C30H37N3O2/c1-4-33(2,3)23-25-16-14-24(15-17-25)22-32-20-18-27(19-21-32)35-30(34)31-29-13-9-8-12-28(29)26-10-6-5-7-11-26/h5-17,27H,4,18-23H2,1-3H3/p+1
InChIKeyARIWYCOYGKVMIY-UHFFFAOYSA-O
MW472.65 g/mol
LogP6.16
Rot. Bonds8

About ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium

ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium (PubChem CID 20625302) has the molecular formula C30H38N3O2+ and a molecular weight of 472.65 g/mol. Its IUPAC name is ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium
PubChem CID20625302
Molecular FormulaC30H38N3O2+
Molecular Weight472.65 g/mol
Exact Mass472.30
IUPAC Nameethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium
SMILESCC[N+](C)(C)Cc1ccc(CN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C30H37N3O2/c1-4-33(2,3)23-25-16-14-24(15-17-25)22-32-20-18-27(19-21-32)35-30(34)31-29-13-9-8-12-28(29)26-10-6-5-7-11-26/h5-17,27H,4,18-23H2,1-3H3/p+1
InChIKeyARIWYCOYGKVMIY-UHFFFAOYSA-O
XLogP6.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.65
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 10645832
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
[1-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984903
[1-[2-[3-[4-(piperidin-1-ylmethyl)phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11853753
[1-[2-[[2-[4-[[4-(dimethylcarbamoyl)piperazin-1-yl]methyl]phenyl]-2-oxoethyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66756290
[1-[3-oxo-3-[4-[[4-(propylcarbamoyl)piperidin-1-yl]methyl]anilino]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11250610
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
(1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 143572443
[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 89290632
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
2,2-diethoxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium
CID 20625084
4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[[2-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium
CID 20625157

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium?
The IUPAC name of ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium (CID 20625302) is ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium?
The canonical SMILES for ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium is CC[N+](C)(C)Cc1ccc(CN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1.
What is the InChIKey of ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium?
The InChIKey is ARIWYCOYGKVMIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H37N3O2/c1-4-33(2,3)23-25-16-14-24(15-17-25)22-32-20-18-27(19-21-32)35-30(34)31-29-13-9-8-12-28(29)26-10-6-5-7-11-26/h5-17,27H,4,18-23H2,1-3H3/p+1.
What are the key properties of ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium?
ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium has a molecular weight of 472.65 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 20625302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).