3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C16H23N5OS — CID 50956699

IUPAC3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCC(CCn2cccn2)CC1)Nc1nccs1
InChIInChI=1S/C16H23N5OS/c22-15(19-16-17-7-13-23-16)5-11-20-9-2-14(3-10-20)4-12-21-8-1-6-18-21/h1,6-8,13-14H,2-5,9-12H2,(H,17,19,22)
InChIKeyLUGVDUZJOALDKQ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.47
Rot. Bonds7

About 3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 50956699) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID50956699
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCC(CCn2cccn2)CC1)Nc1nccs1
InChIInChI=1S/C16H23N5OS/c22-15(19-16-17-7-13-23-16)5-11-20-9-2-14(3-10-20)4-12-21-8-1-6-18-21/h1,6-8,13-14H,2-5,9-12H2,(H,17,19,22)
InChIKeyLUGVDUZJOALDKQ-UHFFFAOYSA-N
XLogP2.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53603018
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 56780497
3-(4-Methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 56817549
1-[(2S,3aR,7aS)-2-(pyrazol-1-ylmethyl)-1-(1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]propan-1-one
CID 97460228
2-(1H-pyrazol-1-yl)-N-(1-(thiazol-2-yl)piperidin-4-yl)acetamide
CID 71810037
N-(1-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 29021710
3-Pyrazol-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 45802547
(3-Pyrazol-1-ylpiperidin-1-yl)-[1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone
CID 53555444
(3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
CID 92707943
N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide
CID 99602928
(1-Propan-2-ylpyrazol-4-yl)-[4-(1,3-thiazol-2-ylamino)piperidin-1-yl]methanone
CID 121533677
N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500170

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 50956699) is 3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is O=C(CCN1CCC(CCn2cccn2)CC1)Nc1nccs1.
What is the InChIKey of 3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LUGVDUZJOALDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c22-15(19-16-17-7-13-23-16)5-11-20-9-2-14(3-10-20)4-12-21-8-1-6-18-21/h1,6-8,13-14H,2-5,9-12H2,(H,17,19,22).
What are the key properties of 3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 50956699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).