trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C21H23N3O2 — CID 129427173

IUPACtrans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]1c1cccnc1)[C@H]1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C21H23N3O2/c1-23(20(25)18-13-17(18)15-7-5-11-22-14-15)19-10-6-12-24(21(19)26)16-8-3-2-4-9-16/h2-5,7-9,11,14,17-19H,6,10,12-13H2,1H3/t17-,18+,19-/m0/s1
InChIKeyJNBMYIMGQFKVFO-OTWHNJEPSA-N
MW349.43 g/mol
LogP2.84
Rot. Bonds4

About trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 129427173) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID129427173
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Nametrans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]1c1cccnc1)[C@H]1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C21H23N3O2/c1-23(20(25)18-13-17(18)15-7-5-11-22-14-15)19-10-6-12-24(21(19)26)16-8-3-2-4-9-16/h2-5,7-9,11,14,17-19H,6,10,12-13H2,1H3/t17-,18+,19-/m0/s1
InChIKeyJNBMYIMGQFKVFO-OTWHNJEPSA-N
XLogP2.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 129427173) is trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is CN(C(=O)[C@@H]1C[C@H]1c1cccnc1)[C@H]1CCCN(c2ccccc2)C1=O.
What is the InChIKey of trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is JNBMYIMGQFKVFO-OTWHNJEPSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-23(20(25)18-13-17(18)15-7-5-11-22-14-15)19-10-6-12-24(21(19)26)16-8-3-2-4-9-16/h2-5,7-9,11,14,17-19H,6,10,12-13H2,1H3/t17-,18+,19-/m0/s1.
What are the key properties of trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 129427173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).