N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide

C18H32N4O — CID 46992547

IUPACN-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(CC(=O)Nc2ccnn2C(C)C(C)C)CC1
InChIInChI=1S/C18H32N4O/c1-5-10-21-11-7-16(8-12-21)13-18(23)20-17-6-9-19-22(17)15(4)14(2)3/h6,9,14-16H,5,7-8,10-13H2,1-4H3,(H,20,23)
InChIKeyATBKAFWBTXKZDN-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.55
Rot. Bonds7

About N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide

N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide (PubChem CID 46992547) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide
PubChem CID46992547
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(CC(=O)Nc2ccnn2C(C)C(C)C)CC1
InChIInChI=1S/C18H32N4O/c1-5-10-21-11-7-16(8-12-21)13-18(23)20-17-6-9-19-22(17)15(4)14(2)3/h6,9,14-16H,5,7-8,10-13H2,1-4H3,(H,20,23)
InChIKeyATBKAFWBTXKZDN-UHFFFAOYSA-N
XLogP3.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide
CID 46988502
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 115647959
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(1-propylpiperidin-4-yl)acetamide
CID 72872753
2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide
CID 134706145
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 114681188
4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide
CID 118761775
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(1-propylpiperidin-4-yl)acetamide
CID 97272567
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide
CID 97204090
2-(cyclopropylamino)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 60687383
2-piperidin-1-yl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155912
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide (CID 46992547) is N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(CC(=O)Nc2ccnn2C(C)C(C)C)CC1.
What is the InChIKey of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is ATBKAFWBTXKZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-5-10-21-11-7-16(8-12-21)13-18(23)20-17-6-9-19-22(17)15(4)14(2)3/h6,9,14-16H,5,7-8,10-13H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide?
N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 320.48 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 46992547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).