1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone

C17H21N3OS — CID 110114410

IUPAC1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCc1cnc(C2(C)CCN(C(=O)Cc3cccnc3)CC2)s1
InChIInChI=1S/C17H21N3OS/c1-13-11-19-16(22-13)17(2)5-8-20(9-6-17)15(21)10-14-4-3-7-18-12-14/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyQXGDPUAQPXUQAO-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.97
Rot. Bonds3

About 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone

1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 110114410) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID110114410
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCc1cnc(C2(C)CCN(C(=O)Cc3cccnc3)CC2)s1
InChIInChI=1S/C17H21N3OS/c1-13-11-19-16(22-13)17(2)5-8-20(9-6-17)15(21)10-14-4-3-7-18-12-14/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyQXGDPUAQPXUQAO-UHFFFAOYSA-N
XLogP2.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110114570
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 98776766
1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
CID 97370728
1-[(5S,6S)-6-hydroxy-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-3-ylethanone
CID 110156144
(5R)-N,N-dimethyl-9-(2-pyridin-3-ylacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97370537
1-[(3R,5R)-3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-pyridin-3-ylethanone
CID 97393983
2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
CID 62691390
2-pyridin-3-yl-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155833316
1-(4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-pyridin-3-ylethanone
CID 131911352
(5R)-9-(2-pyridin-3-ylacetyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95714313
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone (CID 110114410) is 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone is Cc1cnc(C2(C)CCN(C(=O)Cc3cccnc3)CC2)s1.
What is the InChIKey of 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is QXGDPUAQPXUQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-11-19-16(22-13)17(2)5-8-20(9-6-17)15(21)10-14-4-3-7-18-12-14/h3-4,7,11-12H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 315.44 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 110114410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).