trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C20H22FN3O — CID 124782091

IUPACtrans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C20H22FN3O/c21-15-5-1-7-17(10-15)24-9-3-6-16(13-24)23-20(25)19-11-18(19)14-4-2-8-22-12-14/h1-2,4-5,7-8,10,12,16,18-19H,3,6,9,11,13H2,(H,23,25)/t16-,18-,19+/m1/s1
InChIKeyOTGRDCWMRHTAGM-QRQLOZEOSA-N
MW339.41 g/mol
LogP3.11
Rot. Bonds4

About trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 124782091) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID124782091
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Nametrans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C20H22FN3O/c21-15-5-1-7-17(10-15)24-9-3-6-16(13-24)23-20(25)19-11-18(19)14-4-2-8-22-12-14/h1-2,4-5,7-8,10,12,16,18-19H,3,6,9,11,13H2,(H,23,25)/t16-,18-,19+/m1/s1
InChIKeyOTGRDCWMRHTAGM-QRQLOZEOSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119884134
N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide
CID 119884186
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86962189
trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 95180005
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95980409
1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 154748763
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 124782091) is trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@H]1C[C@@H]1c1cccnc1.
What is the InChIKey of trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is OTGRDCWMRHTAGM-QRQLOZEOSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-15-5-1-7-17(10-15)24-9-3-6-16(13-24)23-20(25)19-11-18(19)14-4-2-8-22-12-14/h1-2,4-5,7-8,10,12,16,18-19H,3,6,9,11,13H2,(H,23,25)/t16-,18-,19+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 124782091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).