N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C21H30N4O — CID 18129721

IUPACN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H30N4O/c1-16-20(17(2)24(3)23-16)13-21(26)22-14-18-7-9-19(10-8-18)15-25-11-5-4-6-12-25/h7-10H,4-6,11-15H2,1-3H3,(H,22,26)
InChIKeyASTNMWYOUKFJMM-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.88
Rot. Bonds6

About N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 18129721) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID18129721
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H30N4O/c1-16-20(17(2)24(3)23-16)13-21(26)22-14-18-7-9-19(10-8-18)15-25-11-5-4-6-12-25/h7-10H,4-6,11-15H2,1-3H3,(H,22,26)
InChIKeyASTNMWYOUKFJMM-UHFFFAOYSA-N
XLogP2.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31592780
2-methyl-1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111787467
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51099822
1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 51313394
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 42474431
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143283
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602273
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
1-(5-benzyl-1,5-diazacycloundec-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 133067978
2-oxo-6-(piperidin-1-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 26400595

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 18129721) is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is ASTNMWYOUKFJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-16-20(17(2)24(3)23-16)13-21(26)22-14-18-7-9-19(10-8-18)15-25-11-5-4-6-12-25/h7-10H,4-6,11-15H2,1-3H3,(H,22,26).
What are the key properties of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 354.50 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 18129721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).