[3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium

C21H37N3O2+2 — CID 7323909

IUPAC[3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium
SMILESCOc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1
InChIInChI=1S/C21H35N3O2/c1-21(2,16-23(3)4)15-22-20(25)18-9-11-24(12-10-18)14-17-7-6-8-19(13-17)26-5/h6-8,13,18H,9-12,14-16H2,1-5H3,(H,22,25)/p+2
InChIKeyIGLQILSRDLZROQ-UHFFFAOYSA-P
MW363.55 g/mol
LogP-0.22
Rot. Bonds8

About [3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium

[3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium (PubChem CID 7323909) has the molecular formula C21H37N3O2+2 and a molecular weight of 363.55 g/mol. Its IUPAC name is [3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium.

Molecular Properties

Compound Name[3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium
PubChem CID7323909
Molecular FormulaC21H37N3O2+2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name[3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium
SMILESCOc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1
InChIInChI=1S/C21H35N3O2/c1-21(2,16-23(3)4)15-22-20(25)18-9-11-24(12-10-18)14-17-7-6-8-19(13-17)26-5/h6-8,13,18H,9-12,14-16H2,1-5H3,(H,22,25)/p+2
InChIKeyIGLQILSRDLZROQ-UHFFFAOYSA-P
XLogP-0.22
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium with MolForge

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Related Compounds

N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6952865
N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6963584
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7279394
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
1-[(3-phenoxyphenyl)methyl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide
CID 7233673
benzyl-ethyl-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]azanium
CID 4517287
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
1-[(3-methoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7439611
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 4921693

Frequently Asked Questions

What is the IUPAC name of [3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The IUPAC name of [3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium (CID 7323909) is [3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium.
What is the SMILES notation for [3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The canonical SMILES for [3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium is COc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1.
What is the InChIKey of [3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The InChIKey is IGLQILSRDLZROQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C21H35N3O2/c1-21(2,16-23(3)4)15-22-20(25)18-9-11-24(12-10-18)14-17-7-6-8-19(13-17)26-5/h6-8,13,18H,9-12,14-16H2,1-5H3,(H,22,25)/p+2.
What are the key properties of [3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
[3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium has a molecular weight of 363.55 g/mol, XLogP of -0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium is sourced from PubChem (CID 7323909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).