(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide

C19H26N2O3 — CID 93328250

IUPAC(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C2CC2)C1
InChIInChI=1S/C19H26N2O3/c1-24-12-11-20-18(22)16-9-10-17(14-5-3-2-4-6-14)21(13-16)19(23)15-7-8-15/h2-6,15-17H,7-13H2,1H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyYFRZZOAYYNKQBL-IAGOWNOFSA-N
MW330.43 g/mol
LogP2.14
Rot. Bonds6

About (3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide

(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide (PubChem CID 93328250) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
PubChem CID93328250
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C2CC2)C1
InChIInChI=1S/C19H26N2O3/c1-24-12-11-20-18(22)16-9-10-17(14-5-3-2-4-6-14)21(13-16)19(23)15-7-8-15/h2-6,15-17H,7-13H2,1H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyYFRZZOAYYNKQBL-IAGOWNOFSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93291208
(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 71955066
1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 46041560
N-cyclopropyl-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42849448
(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 92998904
6-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182103
1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849427
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975412
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870408

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide (CID 93328250) is (3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide is COCCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C2CC2)C1.
What is the InChIKey of (3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide?
The InChIKey is YFRZZOAYYNKQBL-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-12-11-20-18(22)16-9-10-17(14-5-3-2-4-6-14)21(13-16)19(23)15-7-8-15/h2-6,15-17H,7-13H2,1H3,(H,20,22)/t16-,17-/m1/s1.
What are the key properties of (3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide?
(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 93328250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).