1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide

C24H26N4O3 — CID 42519475

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H26N4O3/c29-24(26-20-3-1-2-19(15-20)21-6-9-25-27-21)18-7-10-28(11-8-18)16-17-4-5-22-23(14-17)31-13-12-30-22/h1-6,9,14-15,18H,7-8,10-13,16H2,(H,25,27)(H,26,29)
InChIKeyPWIGZHGRJMNFDG-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.70
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide (PubChem CID 42519475) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
PubChem CID42519475
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H26N4O3/c29-24(26-20-3-1-2-19(15-20)21-6-9-25-27-21)18-7-10-28(11-8-18)16-17-4-5-22-23(14-17)31-13-12-30-22/h1-6,9,14-15,18H,7-8,10-13,16H2,(H,25,27)(H,26,29)
InChIKeyPWIGZHGRJMNFDG-UHFFFAOYSA-N
XLogP3.70
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 126460633
1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 42514151
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 29211136
1-(dimethylsulfamoyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 72888802
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45216567
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119707800
N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 138013343
N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46412516
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122090082
N-(1,3-benzodioxol-5-yl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921462
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetic acid
CID 79609676
N-(1,3-benzodioxol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921459

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide (CID 42519475) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is PWIGZHGRJMNFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-24(26-20-3-1-2-19(15-20)21-6-9-25-27-21)18-7-10-28(11-8-18)16-17-4-5-22-23(14-17)31-13-12-30-22/h1-6,9,14-15,18H,7-8,10-13,16H2,(H,25,27)(H,26,29).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 42519475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).