N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide

C22H24N2O2 — CID 34451519

IUPACN-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C22H24N2O2/c25-22(19-14-18-8-2-3-10-21(18)26-16-19)23-20-9-6-7-17(13-20)15-24-11-4-1-5-12-24/h2-3,6-10,13-14H,1,4-5,11-12,15-16H2,(H,23,25)
InChIKeyJZUNSLCWJHIMSP-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.09
Rot. Bonds4

About N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide

N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide (PubChem CID 34451519) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide
PubChem CID34451519
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C22H24N2O2/c25-22(19-14-18-8-2-3-10-21(18)26-16-19)23-20-9-6-7-17(13-20)15-24-11-4-1-5-12-24/h2-3,6-10,13-14H,1,4-5,11-12,15-16H2,(H,23,25)
InChIKeyJZUNSLCWJHIMSP-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide (CID 34451519) is N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide is O=C(Nc1cccc(CN2CCCCC2)c1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide?
The InChIKey is JZUNSLCWJHIMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-22(19-14-18-8-2-3-10-21(18)26-16-19)23-20-9-6-7-17(13-20)15-24-11-4-1-5-12-24/h2-3,6-10,13-14H,1,4-5,11-12,15-16H2,(H,23,25).
What are the key properties of N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide?
N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 34451519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).