N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride

C17H28ClN5O3 — CID 119333412

IUPACN-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC1CN(C(=O)Cn2cc(NC(=O)C3CCNCC3)cn2)CC(C)O1.Cl
InChIInChI=1S/C17H27N5O3.ClH/c1-12-8-21(9-13(2)25-12)16(23)11-22-10-15(7-19-22)20-17(24)14-3-5-18-6-4-14;/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3,(H,20,24);1H
InChIKeyIBQRNJGHSUFXRV-UHFFFAOYSA-N
MW385.90 g/mol
LogP0.88
Rot. Bonds4

About N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride

N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119333412) has the molecular formula C17H28ClN5O3 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID119333412
Molecular FormulaC17H28ClN5O3
Molecular Weight385.90 g/mol
Exact Mass385.19
IUPAC NameN-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC1CN(C(=O)Cn2cc(NC(=O)C3CCNCC3)cn2)CC(C)O1.Cl
InChIInChI=1S/C17H27N5O3.ClH/c1-12-8-21(9-13(2)25-12)16(23)11-22-10-15(7-19-22)20-17(24)14-3-5-18-6-4-14;/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3,(H,20,24);1H
InChIKeyIBQRNJGHSUFXRV-UHFFFAOYSA-N
XLogP0.88
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119800850
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800877
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119328781
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 136527820
(2S)-2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 119333433
1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119333431
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-3-methylpentanamide;hydrochloride
CID 119800873
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 119945711
N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide
CID 124572592
N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 96509334
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
CID 120593181

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride (CID 119333412) is N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride is CC1CN(C(=O)Cn2cc(NC(=O)C3CCNCC3)cn2)CC(C)O1.Cl.
What is the InChIKey of N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is IBQRNJGHSUFXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3.ClH/c1-12-8-21(9-13(2)25-12)16(23)11-22-10-15(7-19-22)20-17(24)14-3-5-18-6-4-14;/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3,(H,20,24);1H.
What are the key properties of N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119333412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).