N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid

C20H27N5O6 — CID 155876835

IUPACN,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
SMILESCN(C)C(=O)C1(n2cccn2)CCN(C(=O)Cc2ccccn2)CC1.O=CO.O=CO
InChIInChI=1S/C18H23N5O2.2CH2O2/c1-21(2)17(25)18(23-11-5-10-20-23)7-12-22(13-8-18)16(24)14-15-6-3-4-9-19-15;2*2-1-3/h3-6,9-11H,7-8,12-14H2,1-2H3;2*1H,(H,2,3)
InChIKeyFBRYOKFBOLSAOA-UHFFFAOYSA-N
MW433.47 g/mol
LogP0.33
Rot. Bonds4

About N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid

N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid (PubChem CID 155876835) has the molecular formula C20H27N5O6 and a molecular weight of 433.47 g/mol. Its IUPAC name is N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid.

Molecular Properties

Compound NameN,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
PubChem CID155876835
Molecular FormulaC20H27N5O6
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC NameN,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
SMILESCN(C)C(=O)C1(n2cccn2)CCN(C(=O)Cc2ccccn2)CC1.O=CO.O=CO
InChIInChI=1S/C18H23N5O2.2CH2O2/c1-21(2)17(25)18(23-11-5-10-20-23)7-12-22(13-8-18)16(24)14-15-6-3-4-9-19-15;2*2-1-3/h3-6,9-11H,7-8,12-14H2,1-2H3;2*1H,(H,2,3)
InChIKeyFBRYOKFBOLSAOA-UHFFFAOYSA-N
XLogP0.33
TPSA145.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
CID 155879891
N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
1-(3-methoxypropanoyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873177
N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155879570
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469
1-(cyclopentene-1-carbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155876824
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617
azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
CID 155873362
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid?
The IUPAC name of N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid (CID 155876835) is N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid.
What is the SMILES notation for N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid?
The canonical SMILES for N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid is CN(C)C(=O)C1(n2cccn2)CCN(C(=O)Cc2ccccn2)CC1.O=CO.O=CO.
What is the InChIKey of N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid?
The InChIKey is FBRYOKFBOLSAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.2CH2O2/c1-21(2)17(25)18(23-11-5-10-20-23)7-12-22(13-8-18)16(24)14-15-6-3-4-9-19-15;2*2-1-3/h3-6,9-11H,7-8,12-14H2,1-2H3;2*1H,(H,2,3).
What are the key properties of N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid?
N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid has a molecular weight of 433.47 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid is sourced from PubChem (CID 155876835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).