4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide

C18H22N4O3 — CID 95383166

IUPAC4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide
SMILESCc1cnn([C@H]2CCCN(C(=O)COc3ccc(C(N)=O)cc3)C2)c1
InChIInChI=1S/C18H22N4O3/c1-13-9-20-22(10-13)15-3-2-8-21(11-15)17(23)12-25-16-6-4-14(5-7-16)18(19)24/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H2,19,24)/t15-/m0/s1
InChIKeyDSLWJGFXAZZGPE-HNNXBMFYSA-N
MW342.40 g/mol
LogP1.53
Rot. Bonds5

About 4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide

4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 95383166) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide
PubChem CID95383166
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide
SMILESCc1cnn([C@H]2CCCN(C(=O)COc3ccc(C(N)=O)cc3)C2)c1
InChIInChI=1S/C18H22N4O3/c1-13-9-20-22(10-13)15-3-2-8-21(11-15)17(23)12-25-16-6-4-14(5-7-16)18(19)24/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H2,19,24)/t15-/m0/s1
InChIKeyDSLWJGFXAZZGPE-HNNXBMFYSA-N
XLogP1.53
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 95303871
[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606757
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
CID 167987352
4-amino-3-methoxy-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 120596704
2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 95280540
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
CID 119396958
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 95287275
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone
CID 91892109
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95303199

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide (CID 95383166) is 4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide is Cc1cnn([C@H]2CCCN(C(=O)COc3ccc(C(N)=O)cc3)C2)c1.
What is the InChIKey of 4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is DSLWJGFXAZZGPE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-9-20-22(10-13)15-3-2-8-21(11-15)17(23)12-25-16-6-4-14(5-7-16)18(19)24/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H2,19,24)/t15-/m0/s1.
What are the key properties of 4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide?
4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 95383166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).