N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide

C27H27N3O2 — CID 167660103

IUPACN-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccccn3)c2)CC1
InChIInChI=1S/C27H27N3O2/c31-27(29-25-19-24(25)22-8-2-1-3-9-22)30-15-12-20(13-16-30)17-21-7-6-10-23(18-21)32-26-11-4-5-14-28-26/h1-11,14,17-18,24-25H,12-13,15-16,19H2,(H,29,31)/t24-,25+/m1/s1
InChIKeyRORUWLDRDSSFJZ-RPBOFIJWSA-N
MW425.53 g/mol
LogP5.62
Rot. Bonds5

About N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide

N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide (PubChem CID 167660103) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
PubChem CID167660103
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccccn3)c2)CC1
InChIInChI=1S/C27H27N3O2/c31-27(29-25-19-24(25)22-8-2-1-3-9-22)30-15-12-20(13-16-30)17-21-7-6-10-23(18-21)32-26-11-4-5-14-28-26/h1-11,14,17-18,24-25H,12-13,15-16,19H2,(H,29,31)/t24-,25+/m1/s1
InChIKeyRORUWLDRDSSFJZ-RPBOFIJWSA-N
XLogP5.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide?
The IUPAC name of N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide (CID 167660103) is N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide is O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccccn3)c2)CC1.
What is the InChIKey of N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide?
The InChIKey is RORUWLDRDSSFJZ-RPBOFIJWSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-27(29-25-19-24(25)22-8-2-1-3-9-22)30-15-12-20(13-16-30)17-21-7-6-10-23(18-21)32-26-11-4-5-14-28-26/h1-11,14,17-18,24-25H,12-13,15-16,19H2,(H,29,31)/t24-,25+/m1/s1.
What are the key properties of N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide?
N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 167660103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).