1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide

C24H25N3O2S — CID 56585958

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NC3c4ccccc4Oc4ccccc43)CC2)cs1
InChIInChI=1S/C24H25N3O2S/c1-16-25-18(15-30-16)14-27-12-10-17(11-13-27)24(28)26-23-19-6-2-4-8-21(19)29-22-9-5-3-7-20(22)23/h2-9,15,17,23H,10-14H2,1H3,(H,26,28)
InChIKeyWQGPVONVLSOZEJ-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.68
Rot. Bonds4

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide (PubChem CID 56585958) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide
PubChem CID56585958
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NC3c4ccccc4Oc4ccccc43)CC2)cs1
InChIInChI=1S/C24H25N3O2S/c1-16-25-18(15-30-16)14-27-12-10-17(11-13-27)24(28)26-23-19-6-2-4-8-21(19)29-22-9-5-3-7-20(22)23/h2-9,15,17,23H,10-14H2,1H3,(H,26,28)
InChIKeyWQGPVONVLSOZEJ-UHFFFAOYSA-N
XLogP4.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 126767888
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
S-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56585308
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide
CID 139000344
N-[2-(benzenesulfonyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583013
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
N-(1-amino-2-methylpropan-2-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 119522429
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide
CID 56553767
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 119147279
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 29324285
N-[2-(4-chloroanilino)-2-oxoethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583103

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide (CID 56585958) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide is Cc1nc(CN2CCC(C(=O)NC3c4ccccc4Oc4ccccc43)CC2)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide?
The InChIKey is WQGPVONVLSOZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-16-25-18(15-30-16)14-27-12-10-17(11-13-27)24(28)26-23-19-6-2-4-8-21(19)29-22-9-5-3-7-20(22)23/h2-9,15,17,23H,10-14H2,1H3,(H,26,28).
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.68, 4 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-(9H-xanthen-9-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56585958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).