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

C22H32N4O — CID 24818965

IUPACN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CCCN(Cc3ccc(CC(C)C)cc3)C2)n1
InChIInChI=1S/C22H32N4O/c1-17(2)13-19-6-8-20(9-7-19)14-25-11-4-5-21(15-25)23-22(27)16-26-12-10-18(3)24-26/h6-10,12,17,21H,4-5,11,13-16H2,1-3H3,(H,23,27)
InChIKeyLJWGTMFAJPFRSJ-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.17
Rot. Bonds7

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

N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 24818965) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID24818965
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CCCN(Cc3ccc(CC(C)C)cc3)C2)n1
InChIInChI=1S/C22H32N4O/c1-17(2)13-19-6-8-20(9-7-19)14-25-11-4-5-21(15-25)23-22(27)16-26-12-10-18(3)24-26/h6-10,12,17,21H,4-5,11,13-16H2,1-3H3,(H,23,27)
InChIKeyLJWGTMFAJPFRSJ-UHFFFAOYSA-N
XLogP3.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide (CID 24818965) is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)NC2CCCN(Cc3ccc(CC(C)C)cc3)C2)n1.
What is the InChIKey of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is LJWGTMFAJPFRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-17(2)13-19-6-8-20(9-7-19)14-25-11-4-5-21(15-25)23-22(27)16-26-12-10-18(3)24-26/h6-10,12,17,21H,4-5,11,13-16H2,1-3H3,(H,23,27).
What are the key properties of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 368.53 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 24818965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).