N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide

C19H24N4O3 — CID 136527189

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2ccnn2C)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H24N4O3/c1-13(15-3-4-17-18(11-15)26-12-25-17)21-19(24)23-9-6-14(7-10-23)16-5-8-20-22(16)2/h3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3,(H,21,24)
InChIKeyCZDCPMHDZBSJLK-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.80
Rot. Bonds3

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 136527189) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID136527189
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2ccnn2C)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H24N4O3/c1-13(15-3-4-17-18(11-15)26-12-25-17)21-19(24)23-9-6-14(7-10-23)16-5-8-20-22(16)2/h3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3,(H,21,24)
InChIKeyCZDCPMHDZBSJLK-UHFFFAOYSA-N
XLogP2.80
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51326046
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134002034
1-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]piperidin-1-yl]ethanone
CID 43434024
N-[1-(1,3-benzodioxol-5-yl)ethyl]imidazole-1-carboxamide
CID 81257632
(2R)-2-amino-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]propanamide
CID 93043833
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylurea
CID 47139460
(2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 61178173
[3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 84588722
4-(2-methylpyrazol-3-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124607053
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8543601
3-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119699854
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603422

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide (CID 136527189) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide is CC(NC(=O)N1CCC(c2ccnn2C)CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is CZDCPMHDZBSJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(15-3-4-17-18(11-15)26-12-25-17)21-19(24)23-9-6-14(7-10-23)16-5-8-20-22(16)2/h3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136527189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).