N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C18H22ClF2N3O2S — CID 120619810

About N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120619810) has the molecular formula C18H22ClF2N3O2S and a molecular weight of 417.91 g/mol. Its IUPAC name is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
• PubChem CID: 120619810
• Molecular Formula: C18H22ClF2N3O2S
• Molecular Weight: 417.91 g/mol
• Exact Mass: 417.11
• IUPAC Name: N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
• SMILES: COCC1(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CCNCC1.Cl
• InChI: InChI=1S/C18H21F2N3O2S.ClH/c1-25-11-18(4-6-21-7-5-18)16(24)23-17-22-10-13(26-17)8-12-2-3-14(19)15(20)9-12;/h2-3,9-10,21H,4-8,11H2,1H3,(H,22,23,24);1H
• InChIKey: MHCUPSPNMHFHPB-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.91
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?

The IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120619810) is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?

The canonical SMILES for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CCNCC1.Cl.

What is the InChIKey of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?

The InChIKey is MHCUPSPNMHFHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2S.ClH/c1-25-11-18(4-6-21-7-5-18)16(24)23-17-22-10-13(26-17)8-12-2-3-14(19)15(20)9-12;/h2-3,9-10,21H,4-8,11H2,1H3,(H,22,23,24);1H.

What are the key properties of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 417.91 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120619810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).