N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide

C17H23N5O2 — CID 130360892

IUPACN,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1
InChIInChI=1S/C17H23N5O2/c1-21(2)17(23)22-9-6-13(7-10-22)12-24-14-3-4-15(18-11-14)16-5-8-19-20-16/h3-5,8,11,13H,6-7,9-10,12H2,1-2H3,(H,19,20)
InChIKeyTVGCTSKJDQPBNN-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.24
Rot. Bonds4

About N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide

N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide (PubChem CID 130360892) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide
PubChem CID130360892
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1
InChIInChI=1S/C17H23N5O2/c1-21(2)17(23)22-9-6-13(7-10-22)12-24-14-3-4-15(18-11-14)16-5-8-19-20-16/h3-5,8,11,13H,6-7,9-10,12H2,1-2H3,(H,19,20)
InChIKeyTVGCTSKJDQPBNN-UHFFFAOYSA-N
XLogP2.24
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide (CID 130360892) is N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide?
The InChIKey is TVGCTSKJDQPBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21(2)17(23)22-9-6-13(7-10-22)12-24-14-3-4-15(18-11-14)16-5-8-19-20-16/h3-5,8,11,13H,6-7,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 130360892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).