(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C23H29N3O4 — CID 8530719

IUPAC(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCOc1ccc(OCCNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-29-20-10-12-21(13-11-20)30-16-14-24-22(27)18-7-6-15-26(17-18)23(28)25-19-8-4-3-5-9-19/h3-5,8-13,18H,2,6-7,14-17H2,1H3,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyUGJSFIYMCLDXMQ-GOSISDBHSA-N
MW411.50 g/mol
LogP3.52
Rot. Bonds8

About (3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 8530719) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is (3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID8530719
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCOc1ccc(OCCNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-29-20-10-12-21(13-11-20)30-16-14-24-22(27)18-7-6-15-26(17-18)23(28)25-19-8-4-3-5-9-19/h3-5,8-13,18H,2,6-7,14-17H2,1H3,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyUGJSFIYMCLDXMQ-GOSISDBHSA-N
XLogP3.52
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51239700
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
CID 94396027
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
1-N-(4-methoxyphenyl)-3-N-(3-methoxypropyl)piperidine-1,3-dicarboxamide
CID 650630
3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55904439
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 8530719) is (3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is CCOc1ccc(OCCNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of (3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is UGJSFIYMCLDXMQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-2-29-20-10-12-21(13-11-20)30-16-14-24-22(27)18-7-6-15-26(17-18)23(28)25-19-8-4-3-5-9-19/h3-5,8-13,18H,2,6-7,14-17H2,1H3,(H,24,27)(H,25,28)/t18-/m1/s1.
What are the key properties of (3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 8530719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).