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

C23H31N3O2S — CID 56583198

IUPACN-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)N(Cc3ccccc3)CC3CCCO3)CC2)cs1
InChIInChI=1S/C23H31N3O2S/c1-18-24-21(17-29-18)15-25-11-9-20(10-12-25)23(27)26(16-22-8-5-13-28-22)14-19-6-3-2-4-7-19/h2-4,6-7,17,20,22H,5,8-16H2,1H3
InChIKeyLUKSPRBTEXZURH-UHFFFAOYSA-N
MW413.59 g/mol
LogP3.87
Rot. Bonds7

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

N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 56583198) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID56583198
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC NameN-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)N(Cc3ccccc3)CC3CCCO3)CC2)cs1
InChIInChI=1S/C23H31N3O2S/c1-18-24-21(17-29-18)15-25-11-9-20(10-12-25)23(27)26(16-22-8-5-13-28-22)14-19-6-3-2-4-7-19/h2-4,6-7,17,20,22H,5,8-16H2,1H3
InChIKeyLUKSPRBTEXZURH-UHFFFAOYSA-N
XLogP3.87
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94641042
N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 56538529
N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 75390609
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 1059704
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940786
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72931700
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
(2S)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366533
N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 42565339
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
2-methyl-1-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111760874

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 56583198) is N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is Cc1nc(CN2CCC(C(=O)N(Cc3ccccc3)CC3CCCO3)CC2)cs1.
What is the InChIKey of N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LUKSPRBTEXZURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-18-24-21(17-29-18)15-25-11-9-20(10-12-25)23(27)26(16-22-8-5-13-28-22)14-19-6-3-2-4-7-19/h2-4,6-7,17,20,22H,5,8-16H2,1H3.
What are the key properties of N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 413.59 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 56583198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).