cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone

C19H29N3O3S — CID 162918157

IUPACcyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
SMILESCOCC1CCCN1Cc1nc(C2(O)CCN(C(=O)C3CC3)CC2)cs1
InChIInChI=1S/C19H29N3O3S/c1-25-12-15-3-2-8-22(15)11-17-20-16(13-26-17)19(24)6-9-21(10-7-19)18(23)14-4-5-14/h13-15,24H,2-12H2,1H3
InChIKeySRMYRHDOTAQVRN-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.97
Rot. Bonds6

About cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone

cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone (PubChem CID 162918157) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
PubChem CID162918157
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Namecyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
SMILESCOCC1CCCN1Cc1nc(C2(O)CCN(C(=O)C3CC3)CC2)cs1
InChIInChI=1S/C19H29N3O3S/c1-25-12-15-3-2-8-22(15)11-17-20-16(13-26-17)19(24)6-9-21(10-7-19)18(23)14-4-5-14/h13-15,24H,2-12H2,1H3
InChIKeySRMYRHDOTAQVRN-UHFFFAOYSA-N
XLogP1.97
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide
CID 162798235
1-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenylethanone
CID 162966986
4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol
CID 162792981
4-[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol
CID 100643793
4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol
CID 162890731
1-[(2-fluorophenyl)methyl]-4-[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100626141
cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
CID 100627782
1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone
CID 100643125
methyl 3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate
CID 97054784
1-[4-[4-hydroxy-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 100627013
N-(4-fluorophenyl)-4-hydroxy-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidine-1-carboxamide
CID 100646138
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79545913

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone (CID 162918157) is cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone is COCC1CCCN1Cc1nc(C2(O)CCN(C(=O)C3CC3)CC2)cs1.
What is the InChIKey of cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is SRMYRHDOTAQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-25-12-15-3-2-8-22(15)11-17-20-16(13-26-17)19(24)6-9-21(10-7-19)18(23)14-4-5-14/h13-15,24H,2-12H2,1H3.
What are the key properties of cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 379.53 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 162918157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).