4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C20H27N3O2S — CID 120620812

IUPAC4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)CCNCC1
InChIInChI=1S/C20H27N3O2S/c1-14(2)17-16(15-7-5-4-6-8-15)22-19(26-17)23-18(24)20(13-25-3)9-11-21-12-10-20/h4-8,14,21H,9-13H2,1-3H3,(H,22,23,24)
InChIKeyNSWQATOSHVCZCC-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.89
Rot. Bonds6

About 4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 120620812) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID120620812
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)CCNCC1
InChIInChI=1S/C20H27N3O2S/c1-14(2)17-16(15-7-5-4-6-8-15)22-19(26-17)23-18(24)20(13-25-3)9-11-21-12-10-20/h4-8,14,21H,9-13H2,1-3H3,(H,22,23,24)
InChIKeyNSWQATOSHVCZCC-UHFFFAOYSA-N
XLogP3.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 120620812) is 4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is COCC1(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is NSWQATOSHVCZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14(2)17-16(15-7-5-4-6-8-15)22-19(26-17)23-18(24)20(13-25-3)9-11-21-12-10-20/h4-8,14,21H,9-13H2,1-3H3,(H,22,23,24).
What are the key properties of 4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 120620812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).