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

C20H25FN2O2 — CID 92996685

IUPAC(3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc([C@H]2C[C@H](C(=O)NC3CC3)CN(C(=O)C3CC3)C2)ccc1F
InChIInChI=1S/C20H25FN2O2/c1-12-8-14(4-7-18(12)21)15-9-16(19(24)22-17-5-6-17)11-23(10-15)20(25)13-2-3-13/h4,7-8,13,15-17H,2-3,5-6,9-11H2,1H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyJJJVCEXIERJAGN-HOTGVXAUSA-N
MW344.43 g/mol
LogP2.75
Rot. Bonds4

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

(3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide (PubChem CID 92996685) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is (3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
PubChem CID92996685
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name(3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc([C@H]2C[C@H](C(=O)NC3CC3)CN(C(=O)C3CC3)C2)ccc1F
InChIInChI=1S/C20H25FN2O2/c1-12-8-14(4-7-18(12)21)15-9-16(19(24)22-17-5-6-17)11-23(10-15)20(25)13-2-3-13/h4,7-8,13,15-17H,2-3,5-6,9-11H2,1H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyJJJVCEXIERJAGN-HOTGVXAUSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 92996658
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-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 98635565
(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-(cyclopentanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92996862
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
(3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996067
1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42865379
(3R,5S)-1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 92996923
(3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92996611
(3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996947

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide (CID 92996685) is (3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide is Cc1cc([C@H]2C[C@H](C(=O)NC3CC3)CN(C(=O)C3CC3)C2)ccc1F.
What is the InChIKey of (3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is JJJVCEXIERJAGN-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-12-8-14(4-7-18(12)21)15-9-16(19(24)22-17-5-6-17)11-23(10-15)20(25)13-2-3-13/h4,7-8,13,15-17H,2-3,5-6,9-11H2,1H3,(H,22,24)/t15-,16-/m0/s1.
What are the key properties of (3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
(3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92996685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).