N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C25H25N3O4 — CID 72712251

IUPACN-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc3c(c2)OCO3)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H25N3O4/c29-25(19-8-12-28(13-9-19)21-6-10-26-11-7-21)27-20-2-1-3-22(15-20)30-16-18-4-5-23-24(14-18)32-17-31-23/h1-7,10-11,14-15,19H,8-9,12-13,16-17H2,(H,27,29)
InChIKeyQWOUBGQERORJOW-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.24
Rot. Bonds6

About N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 72712251) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID72712251
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc3c(c2)OCO3)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H25N3O4/c29-25(19-8-12-28(13-9-19)21-6-10-26-11-7-21)27-20-2-1-3-22(15-20)30-16-18-4-5-23-24(14-18)32-17-31-23/h1-7,10-11,14-15,19H,8-9,12-13,16-17H2,(H,27,29)
InChIKeyQWOUBGQERORJOW-UHFFFAOYSA-N
XLogP4.24
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 72712251) is N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1cccc(OCc2ccc3c(c2)OCO3)c1)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is QWOUBGQERORJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c29-25(19-8-12-28(13-9-19)21-6-10-26-11-7-21)27-20-2-1-3-22(15-20)30-16-18-4-5-23-24(14-18)32-17-31-23/h1-7,10-11,14-15,19H,8-9,12-13,16-17H2,(H,27,29).
What are the key properties of N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72712251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).