piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate

C21H29N5O4 — CID 171654658

About piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate

piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate (PubChem CID 171654658) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate.

Molecular Properties

• Compound Name: piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate
• PubChem CID: 171654658
• Molecular Formula: C21H29N5O4
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.22
• IUPAC Name: piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate
• SMILES: Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)OC3CCCNC3)cn2)cc1
• InChI: InChI=1S/C21H29N5O4/c1-16-5-7-18(8-6-16)29-11-10-25(2)20(27)15-26-14-17(12-23-26)24-21(28)30-19-4-3-9-22-13-19/h5-8,12,14,19,22H,3-4,9-11,13,15H2,1-2H3,(H,24,28)
• InChIKey: CJVYFVOQFGUELH-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate?

The IUPAC name of piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate (CID 171654658) is piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate.

What is the SMILES notation for piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate?

The canonical SMILES for piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate is Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)OC3CCCNC3)cn2)cc1.

What is the InChIKey of piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate?

The InChIKey is CJVYFVOQFGUELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-16-5-7-18(8-6-16)29-11-10-25(2)20(27)15-26-14-17(12-23-26)24-21(28)30-19-4-3-9-22-13-19/h5-8,12,14,19,22H,3-4,9-11,13,15H2,1-2H3,(H,24,28).

What are the key properties of piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate?

piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate has a molecular weight of 415.49 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for piperidin-3-yl N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate is sourced from PubChem (CID 171654658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).