[1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate

C20H32N4O3S — CID 151332785

IUPAC[1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1nc(CN2CCC(C(=O)NC3CCCC3)CC2)cs1)OC(N)=O
InChIInChI=1S/C20H32N4O3S/c1-20(2,27-19(21)26)11-17-22-16(13-28-17)12-24-9-7-14(8-10-24)18(25)23-15-5-3-4-6-15/h13-15H,3-12H2,1-2H3,(H2,21,26)(H,23,25)
InChIKeyOIUQEEBXIMAMRJ-UHFFFAOYSA-N
MW408.57 g/mol
LogP2.83
Rot. Bonds7

About [1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate

[1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate (PubChem CID 151332785) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is [1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate
PubChem CID151332785
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name[1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1nc(CN2CCC(C(=O)NC3CCCC3)CC2)cs1)OC(N)=O
InChIInChI=1S/C20H32N4O3S/c1-20(2,27-19(21)26)11-17-22-16(13-28-17)12-24-9-7-14(8-10-24)18(25)23-15-5-3-4-6-15/h13-15H,3-12H2,1-2H3,(H2,21,26)(H,23,25)
InChIKeyOIUQEEBXIMAMRJ-UHFFFAOYSA-N
XLogP2.83
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469833
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434496
N-(1-amino-2-methylpropan-2-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 119522429
N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide
CID 56514845
N-cyclopropyl-1-(1,3-oxazol-4-ylmethyl)piperidine-4-carboxamide
CID 172890946
N-(2-amino-1-cyclohexylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119589919
N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
tert-butyl N-[1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate;4-(chloromethyl)-1,3-thiazol-2-amine;hydrochloride
CID 158273778
2,2-dimethyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110368584
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56812929
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
CID 46967148

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate (CID 151332785) is [1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1nc(CN2CCC(C(=O)NC3CCCC3)CC2)cs1)OC(N)=O.
What is the InChIKey of [1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate?
The InChIKey is OIUQEEBXIMAMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-20(2,27-19(21)26)11-17-22-16(13-28-17)12-24-9-7-14(8-10-24)18(25)23-15-5-3-4-6-15/h13-15H,3-12H2,1-2H3,(H2,21,26)(H,23,25).
What are the key properties of [1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate?
[1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate has a molecular weight of 408.57 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151332785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).