3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide

C19H21N3O3 — CID 143567083

IUPAC3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide
SMILESN#CC1=CC=C(C(=O)Nc2ccccc2N2CCC(CO)CC2)OC1
InChIInChI=1S/C19H21N3O3/c20-11-15-5-6-18(25-13-15)19(24)21-16-3-1-2-4-17(16)22-9-7-14(12-23)8-10-22/h1-6,14,23H,7-10,12-13H2,(H,21,24)
InChIKeyQQMLWFZWBLGJGL-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.20
Rot. Bonds4

About 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide

3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide (PubChem CID 143567083) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide
PubChem CID143567083
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide
SMILESN#CC1=CC=C(C(=O)Nc2ccccc2N2CCC(CO)CC2)OC1
InChIInChI=1S/C19H21N3O3/c20-11-15-5-6-18(25-13-15)19(24)21-16-3-1-2-4-17(16)22-9-7-14(12-23)8-10-22/h1-6,14,23H,7-10,12-13H2,(H,21,24)
InChIKeyQQMLWFZWBLGJGL-UHFFFAOYSA-N
XLogP2.20
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
CID 75435744
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide
CID 166414486
3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide
CID 110016310
5-cyano-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 11231718
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
CID 68551320
3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 111338613
[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 126803823
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
2-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 110900198
[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75513043

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide?
The IUPAC name of 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide (CID 143567083) is 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide.
What is the SMILES notation for 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide?
The canonical SMILES for 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide is N#CC1=CC=C(C(=O)Nc2ccccc2N2CCC(CO)CC2)OC1.
What is the InChIKey of 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide?
The InChIKey is QQMLWFZWBLGJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-11-15-5-6-18(25-13-15)19(24)21-16-3-1-2-4-17(16)22-9-7-14(12-23)8-10-22/h1-6,14,23H,7-10,12-13H2,(H,21,24).
What are the key properties of 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide?
3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide is sourced from PubChem (CID 143567083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).