(3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide

C23H25FN2O2 — CID 93328515

IUPAC(3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CC[C@H](c2cccc(C)c2)N(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H25FN2O2/c1-3-13-25-22(27)19-9-12-21(18-6-4-5-16(2)14-18)26(15-19)23(28)17-7-10-20(24)11-8-17/h3-8,10-11,14,19,21H,1,9,12-13,15H2,2H3,(H,25,27)/t19-,21+/m0/s1
InChIKeyNDEVZTMEGXWQAI-PZJWPPBQSA-N
MW380.46 g/mol
LogP4.03
Rot. Bonds5

About (3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide

(3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 93328515) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is (3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID93328515
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name(3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CC[C@H](c2cccc(C)c2)N(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H25FN2O2/c1-3-13-25-22(27)19-9-12-21(18-6-4-5-16(2)14-18)26(15-19)23(28)17-7-10-20(24)11-8-17/h3-8,10-11,14,19,21H,1,9,12-13,15H2,2H3,(H,25,27)/t19-,21+/m0/s1
InChIKeyNDEVZTMEGXWQAI-PZJWPPBQSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93001712
6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 46071991
N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42849514
1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 46041560
1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 42849513
(3S,6R)-1-N-butyl-6-(4-fluorophenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 93328583
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 46041479
1-N-butyl-6-(4-fluoro-3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 46067622
(3S,6R)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92996775
1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849629

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide (CID 93328515) is (3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)[C@H]1CC[C@H](c2cccc(C)c2)N(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is NDEVZTMEGXWQAI-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-3-13-25-22(27)19-9-12-21(18-6-4-5-16(2)14-18)26(15-19)23(28)17-7-10-20(24)11-8-17/h3-8,10-11,14,19,21H,1,9,12-13,15H2,2H3,(H,25,27)/t19-,21+/m0/s1.
What are the key properties of (3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
(3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 93328515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).