2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide

C22H31N5O2 — CID 71911890

IUPAC2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCc1ccc(-c2cc(C(=O)N3CCC(N(C)CC(=O)NC(C)C)CC3)[nH]n2)cc1
InChIInChI=1S/C22H31N5O2/c1-15(2)23-21(28)14-26(4)18-9-11-27(12-10-18)22(29)20-13-19(24-25-20)17-7-5-16(3)6-8-17/h5-8,13,15,18H,9-12,14H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyJXKGERZHRSMFJY-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.45
Rot. Bonds6

About 2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide

2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide (PubChem CID 71911890) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide
PubChem CID71911890
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCc1ccc(-c2cc(C(=O)N3CCC(N(C)CC(=O)NC(C)C)CC3)[nH]n2)cc1
InChIInChI=1S/C22H31N5O2/c1-15(2)23-21(28)14-26(4)18-9-11-27(12-10-18)22(29)20-13-19(24-25-20)17-7-5-16(3)6-8-17/h5-8,13,15,18H,9-12,14H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyJXKGERZHRSMFJY-UHFFFAOYSA-N
XLogP2.45
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide (CID 71911890) is 2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide is Cc1ccc(-c2cc(C(=O)N3CCC(N(C)CC(=O)NC(C)C)CC3)[nH]n2)cc1.
What is the InChIKey of 2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide?
The InChIKey is JXKGERZHRSMFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-15(2)23-21(28)14-26(4)18-9-11-27(12-10-18)22(29)20-13-19(24-25-20)17-7-5-16(3)6-8-17/h5-8,13,15,18H,9-12,14H2,1-4H3,(H,23,28)(H,24,25).
What are the key properties of 2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide?
2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide has a molecular weight of 397.52 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 71911890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).