4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide

C17H31N5O2 — CID 97317829

About 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide

4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide (PubChem CID 97317829) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
• PubChem CID: 97317829
• Molecular Formula: C17H31N5O2
• Molecular Weight: 337.47 g/mol
• Exact Mass: 337.25
• IUPAC Name: 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
• SMILES: C[C@H](CNC(=O)N1CCC(N(C)CCCO)CC1)Cn1cccn1
• InChI: InChI=1S/C17H31N5O2/c1-15(14-22-9-3-7-19-22)13-18-17(24)21-10-5-16(6-11-21)20(2)8-4-12-23/h3,7,9,15-16,23H,4-6,8,10-14H2,1-2H3,(H,18,24)/t15-/m1/s1
• InChIKey: GGMRZKPGGPWURC-OAHLLOKOSA-N
• XLogP: 1.01
• TPSA: 73.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.47
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide?

The IUPAC name of 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide (CID 97317829) is 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide?

The canonical SMILES for 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide is C[C@H](CNC(=O)N1CCC(N(C)CCCO)CC1)Cn1cccn1.

What is the InChIKey of 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide?

The InChIKey is GGMRZKPGGPWURC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-15(14-22-9-3-7-19-22)13-18-17(24)21-10-5-16(6-11-21)20(2)8-4-12-23/h3,7,9,15-16,23H,4-6,8,10-14H2,1-2H3,(H,18,24)/t15-/m1/s1.

What are the key properties of 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide?

4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 97317829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).