N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide

C20H32N3O4+ — CID 7141209

IUPACN-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)C)c(OC)cc1NC(=O)C[NH+]1CCCCC1
InChIInChI=1S/C20H31N3O4/c1-20(2,3)19(25)22-15-12-16(26-4)14(11-17(15)27-5)21-18(24)13-23-9-7-6-8-10-23/h11-12H,6-10,13H2,1-5H3,(H,21,24)(H,22,25)/p+1
InChIKeyGYUMJBUWDONRFF-UHFFFAOYSA-O
MW378.49 g/mol
LogP1.70
Rot. Bonds6

About N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide

N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 7141209) has the molecular formula C20H32N3O4+ and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide
PubChem CID7141209
Molecular FormulaC20H32N3O4+
Molecular Weight378.49 g/mol
Exact Mass378.24
IUPAC NameN-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)C)c(OC)cc1NC(=O)C[NH+]1CCCCC1
InChIInChI=1S/C20H31N3O4/c1-20(2,3)19(25)22-15-12-16(26-4)14(11-17(15)27-5)21-18(24)13-23-9-7-6-8-10-23/h11-12H,6-10,13H2,1-5H3,(H,21,24)(H,22,25)/p+1
InChIKeyGYUMJBUWDONRFF-UHFFFAOYSA-O
XLogP1.70
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azocan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2655327
N-(2-cyano-4,5-dimethoxyphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 6987599
2-(azepan-1-ium-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8025227
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 9131173
2-(azepan-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 8896042
N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543828
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 6945137
N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide
CID 3576034
4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8583822
dimethyl 5-[[2-(azocan-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 8583512
2-(azocan-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8680151

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide (CID 7141209) is N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide is COc1cc(NC(=O)C(C)(C)C)c(OC)cc1NC(=O)C[NH+]1CCCCC1.
What is the InChIKey of N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GYUMJBUWDONRFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H31N3O4/c1-20(2,3)19(25)22-15-12-16(26-4)14(11-17(15)27-5)21-18(24)13-23-9-7-6-8-10-23/h11-12H,6-10,13H2,1-5H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide?
N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 378.49 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 7141209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).