(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide

C25H29FN2O2 — CID 98635565

IUPAC(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
SMILESCc1cc([C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccccc3)CN(C(=O)C3CC3)C2)ccc1F
InChIInChI=1S/C25H29FN2O2/c1-16-12-20(10-11-23(16)26)21-13-22(15-28(14-21)25(30)19-8-9-19)24(29)27-17(2)18-6-4-3-5-7-18/h3-7,10-12,17,19,21-22H,8-9,13-15H2,1-2H3,(H,27,29)/t17-,21-,22-/m1/s1
InChIKeyFVWMEHKDKBTLTD-ZPMCFJSWSA-N
MW408.52 g/mol
LogP4.35
Rot. Bonds5

About (3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide

(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide (PubChem CID 98635565) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is (3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
PubChem CID98635565
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC Name(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
SMILESCc1cc([C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccccc3)CN(C(=O)C3CC3)C2)ccc1F
InChIInChI=1S/C25H29FN2O2/c1-16-12-20(10-11-23(16)26)21-13-22(15-28(14-21)25(30)19-8-9-19)24(29)27-17(2)18-6-4-3-5-7-18/h3-7,10-12,17,19,21-22H,8-9,13-15H2,1-2H3,(H,27,29)/t17-,21-,22-/m1/s1
InChIKeyFVWMEHKDKBTLTD-ZPMCFJSWSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[(1R)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 129420900
1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42866536
(3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 92996685
1-[4-[1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866451
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848
1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 46067504
(3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 92996658
(3R,5R)-1-(cyclopentanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92996862
(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92996089
(3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996947
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865431

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide (CID 98635565) is (3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide is Cc1cc([C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccccc3)CN(C(=O)C3CC3)C2)ccc1F.
What is the InChIKey of (3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide?
The InChIKey is FVWMEHKDKBTLTD-ZPMCFJSWSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-16-12-20(10-11-23(16)26)21-13-22(15-28(14-21)25(30)19-8-9-19)24(29)27-17(2)18-6-4-3-5-7-18/h3-7,10-12,17,19,21-22H,8-9,13-15H2,1-2H3,(H,27,29)/t17-,21-,22-/m1/s1.
What are the key properties of (3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide?
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 98635565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).