1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone

C16H21N3OS — CID 118771293

IUPAC1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCc1cnn(CC2CCN(C(=O)Cc3ccsc3)CC2)c1
InChIInChI=1S/C16H21N3OS/c1-13-9-17-19(10-13)11-14-2-5-18(6-3-14)16(20)8-15-4-7-21-12-15/h4,7,9-10,12,14H,2-3,5-6,8,11H2,1H3
InChIKeyQDWPGMAAUHTNFB-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.73
Rot. Bonds4

About 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone

1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 118771293) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID118771293
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCc1cnn(CC2CCN(C(=O)Cc3ccsc3)CC2)c1
InChIInChI=1S/C16H21N3OS/c1-13-9-17-19(10-13)11-14-2-5-18(6-3-14)16(20)8-15-4-7-21-12-15/h4,7,9-10,12,14H,2-3,5-6,8,11H2,1H3
InChIKeyQDWPGMAAUHTNFB-UHFFFAOYSA-N
XLogP2.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 121200714
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 118771094
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86895517
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70767184
4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91830233
1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97396890
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127246649
4-methyl-1-(2-thiophen-3-ylethyl)pyrazole
CID 130610558

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone (CID 118771293) is 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone is Cc1cnn(CC2CCN(C(=O)Cc3ccsc3)CC2)c1.
What is the InChIKey of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is QDWPGMAAUHTNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-13-9-17-19(10-13)11-14-2-5-18(6-3-14)16(20)8-15-4-7-21-12-15/h4,7,9-10,12,14H,2-3,5-6,8,11H2,1H3.
What are the key properties of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 303.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 118771293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).