4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide

C18H23N5O3 — CID 155790566

IUPAC4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide
SMILESNC(=O)CCC(=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C18H23N5O3/c19-17(24)5-6-18(25)23-9-1-2-13(11-23)12-26-14-3-4-15(20-10-14)16-7-8-21-22-16/h3-4,7-8,10,13H,1-2,5-6,9,11-12H2,(H2,19,24)(H,21,22)/t13-/m1/s1
InChIKeyIVTZHLLZJZEBJT-CYBMUJFWSA-N
MW357.41 g/mol
LogP1.35
Rot. Bonds7

About 4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide

4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide (PubChem CID 155790566) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound Name4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide
PubChem CID155790566
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide
SMILESNC(=O)CCC(=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C18H23N5O3/c19-17(24)5-6-18(25)23-9-1-2-13(11-23)12-26-14-3-4-15(20-10-14)16-7-8-21-22-16/h3-4,7-8,10,13H,1-2,5-6,9,11-12H2,(H2,19,24)(H,21,22)/t13-/m1/s1
InChIKeyIVTZHLLZJZEBJT-CYBMUJFWSA-N
XLogP1.35
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

4-phenoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butan-1-one
CID 155790747
N-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]acetamide
CID 155790759
methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid
CID 137364365
1,1-dimethyl-3-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]urea
CID 155790633
3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one
CID 155790737
5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790573
1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone
CID 155790767
2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine
CID 155790726
(3S)-N,N-dimethyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-sulfonamide
CID 155790733
2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 125022006
N-cyclopropyl-N-methyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide
CID 130360202
3-amino-1-[(3R)-3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]piperidin-1-yl]propan-1-one
CID 130360188

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide?
The IUPAC name of 4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide (CID 155790566) is 4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide.
What is the SMILES notation for 4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide?
The canonical SMILES for 4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide is NC(=O)CCC(=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1.
What is the InChIKey of 4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide?
The InChIKey is IVTZHLLZJZEBJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N5O3/c19-17(24)5-6-18(25)23-9-1-2-13(11-23)12-26-14-3-4-15(20-10-14)16-7-8-21-22-16/h3-4,7-8,10,13H,1-2,5-6,9,11-12H2,(H2,19,24)(H,21,22)/t13-/m1/s1.
What are the key properties of 4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide?
4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide has a molecular weight of 357.41 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 155790566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).