(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide

C19H25FN2O3 — CID 93291208

IUPAC(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)C2CC2)C1
InChIInChI=1S/C19H25FN2O3/c1-25-11-10-21-18(23)15-6-9-17(13-4-7-16(20)8-5-13)22(12-15)19(24)14-2-3-14/h4-5,7-8,14-15,17H,2-3,6,9-12H2,1H3,(H,21,23)/t15-,17+/m1/s1
InChIKeyKFXIBVWENTWFNC-WBVHZDCISA-N
MW348.42 g/mol
LogP2.28
Rot. Bonds6

About (3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide

(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 93291208) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is (3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID93291208
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)C2CC2)C1
InChIInChI=1S/C19H25FN2O3/c1-25-11-10-21-18(23)15-6-9-17(13-4-7-16(20)8-5-13)22(12-15)19(24)14-2-3-14/h4-5,7-8,14-15,17H,2-3,6,9-12H2,1H3,(H,21,23)/t15-,17+/m1/s1
InChIKeyKFXIBVWENTWFNC-WBVHZDCISA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.28
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,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
CID 93328250
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
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42849482
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46041524
(3S,6R)-1-N-butyl-6-(4-fluorophenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 93328583
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870408
(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 93001653
(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849481
5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866511
(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671496

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 93291208) is (3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCNC(=O)[C@@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)C2CC2)C1.
What is the InChIKey of (3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is KFXIBVWENTWFNC-WBVHZDCISA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-25-11-10-21-18(23)15-6-9-17(13-4-7-16(20)8-5-13)22(12-15)19(24)14-2-3-14/h4-5,7-8,14-15,17H,2-3,6,9-12H2,1H3,(H,21,23)/t15-,17+/m1/s1.
What are the key properties of (3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 93291208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).