(3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide

C18H27N3O3 — CID 95141758

IUPAC(3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide
SMILESCCOc1ccccc1CN(CC)C(=O)[C@@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C18H27N3O3/c1-3-20(12-14-8-5-6-10-16(14)24-4-2)17(22)15-9-7-11-21(13-15)18(19)23/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3,(H2,19,23)/t15-/m1/s1
InChIKeyFGHTUZDHZKQXRO-OAHLLOKOSA-N
MW333.43 g/mol
LogP2.22
Rot. Bonds6

About (3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide

(3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide (PubChem CID 95141758) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide
PubChem CID95141758
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide
SMILESCCOc1ccccc1CN(CC)C(=O)[C@@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C18H27N3O3/c1-3-20(12-14-8-5-6-10-16(14)24-4-2)17(22)15-9-7-11-21(13-15)18(19)23/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3,(H2,19,23)/t15-/m1/s1
InChIKeyFGHTUZDHZKQXRO-OAHLLOKOSA-N
XLogP2.22
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 95141759
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553019
N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-(1-methylpiperidin-2-yl)acetamide
CID 50973228
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
CID 60921545
1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041537
N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344215
1-(benzhydrylcarbamothioyl)-N,N-diethylpiperidine-3-carboxamide
CID 3785270
3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 120885796
3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74240152
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
3-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119738433

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide (CID 95141758) is (3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide is CCOc1ccccc1CN(CC)C(=O)[C@@H]1CCCN(C(N)=O)C1.
What is the InChIKey of (3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide?
The InChIKey is FGHTUZDHZKQXRO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-20(12-14-8-5-6-10-16(14)24-4-2)17(22)15-9-7-11-21(13-15)18(19)23/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3,(H2,19,23)/t15-/m1/s1.
What are the key properties of (3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95141758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).