(3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C19H29N3O4 — CID 94249479

IUPAC(3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCOCCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C19H29N3O4/c1-21(2)19(24)22-10-4-5-16(14-22)18(23)20-13-15-6-8-17(9-7-15)26-12-11-25-3/h6-9,16H,4-5,10-14H2,1-3H3,(H,20,23)/t16-/m1/s1
InChIKeyNAEQQXAKFIURAY-MRXNPFEDSA-N
MW363.46 g/mol
LogP1.72
Rot. Bonds7

About (3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

(3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 94249479) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID94249479
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name(3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCOCCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C19H29N3O4/c1-21(2)19(24)22-10-4-5-16(14-22)18(23)20-13-15-6-8-17(9-7-15)26-12-11-25-3/h6-9,16H,4-5,10-14H2,1-3H3,(H,20,23)/t16-/m1/s1
InChIKeyNAEQQXAKFIURAY-MRXNPFEDSA-N
XLogP1.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N-dimethyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 47028623
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
ethyl 1-[N-[[4-(2-methoxyethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110993679
ethyl 1-[N-[[4-(2-methoxyethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993678
1-(2-methoxyethylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 110335852
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 99939916
(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 51937754
(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
3-N-[3-(4-fluorophenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74249959
3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 43041664
(3R)-3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 30307956

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 94249479) is (3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is COCCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1.
What is the InChIKey of (3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is NAEQQXAKFIURAY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-21(2)19(24)22-10-4-5-16(14-22)18(23)20-13-15-6-8-17(9-7-15)26-12-11-25-3/h6-9,16H,4-5,10-14H2,1-3H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 94249479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).