2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide

C22H33N5O — CID 45246796

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
SMILESCc1cc(N)n(CC(=O)NC2CCCN(Cc3ccc(CC(C)C)cc3)C2)n1
InChIInChI=1S/C22H33N5O/c1-16(2)11-18-6-8-19(9-7-18)13-26-10-4-5-20(14-26)24-22(28)15-27-21(23)12-17(3)25-27/h6-9,12,16,20H,4-5,10-11,13-15,23H2,1-3H3,(H,24,28)
InChIKeyQUVXVEAQIAJSGU-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.75
Rot. Bonds7

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide (PubChem CID 45246796) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
PubChem CID45246796
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
SMILESCc1cc(N)n(CC(=O)NC2CCCN(Cc3ccc(CC(C)C)cc3)C2)n1
InChIInChI=1S/C22H33N5O/c1-16(2)11-18-6-8-19(9-7-18)13-26-10-4-5-20(14-26)24-22(28)15-27-21(23)12-17(3)25-27/h6-9,12,16,20H,4-5,10-11,13-15,23H2,1-3H3,(H,24,28)
InChIKeyQUVXVEAQIAJSGU-UHFFFAOYSA-N
XLogP2.75
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 45170113
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 45215918
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pent-4-enamide
CID 45236984
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 42593228
5-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 45215528
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 42517014
1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide
CID 42382294
3-[2-[[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]amino]-2-oxoethyl]oxadiazol-3-ium-5-olate
CID 45238426
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]oxane-4-carboxamide
CID 42244583
1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide
CID 45243943
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(5-oxo-2H-oxadiazol-3-ium-3-yl)acetamide
CID 45238427

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide (CID 45246796) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide is Cc1cc(N)n(CC(=O)NC2CCCN(Cc3ccc(CC(C)C)cc3)C2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide?
The InChIKey is QUVXVEAQIAJSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-16(2)11-18-6-8-19(9-7-18)13-26-10-4-5-20(14-26)24-22(28)15-27-21(23)12-17(3)25-27/h6-9,12,16,20H,4-5,10-11,13-15,23H2,1-3H3,(H,24,28).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 45246796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).