1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide

C22H29N3O2S — CID 139000344

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NC3(c4ccccc4)CCOCC3)CC2)cs1
InChIInChI=1S/C22H29N3O2S/c1-17-23-20(16-28-17)15-25-11-7-18(8-12-25)21(26)24-22(9-13-27-14-10-22)19-5-3-2-4-6-19/h2-6,16,18H,7-15H2,1H3,(H,24,26)
InChIKeyFMQVTOHUQPGQQI-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.49
Rot. Bonds5

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide (PubChem CID 139000344) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide
PubChem CID139000344
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NC3(c4ccccc4)CCOCC3)CC2)cs1
InChIInChI=1S/C22H29N3O2S/c1-17-23-20(16-28-17)15-25-11-7-18(8-12-25)21(26)24-22(9-13-27-14-10-22)19-5-3-2-4-6-19/h2-6,16,18H,7-15H2,1H3,(H,24,26)
InChIKeyFMQVTOHUQPGQQI-UHFFFAOYSA-N
XLogP3.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56540520
(2S)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366533
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide
CID 56585958
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 126767888
N-[2-(benzenesulfonyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583013
methyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenylpiperidine-4-carboxylate
CID 75421629
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 56582571
N-(1-amino-2-methylpropan-2-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 119522429
S-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56585308
3-[3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 120613883
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 126813722

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide (CID 139000344) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide is Cc1nc(CN2CCC(C(=O)NC3(c4ccccc4)CCOCC3)CC2)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide?
The InChIKey is FMQVTOHUQPGQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-17-23-20(16-28-17)15-25-11-7-18(8-12-25)21(26)24-22(9-13-27-14-10-22)19-5-3-2-4-6-19/h2-6,16,18H,7-15H2,1H3,(H,24,26).
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 139000344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).