2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide

C24H35N5O — CID 56510286

IUPAC2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
SMILESCC(C1CC1)n1nccc1NC(=O)CN1CCC(CN(C)Cc2ccccc2)CC1
InChIInChI=1S/C24H35N5O/c1-19(22-8-9-22)29-23(10-13-25-29)26-24(30)18-28-14-11-21(12-15-28)17-27(2)16-20-6-4-3-5-7-20/h3-7,10,13,19,21-22H,8-9,11-12,14-18H2,1-2H3,(H,26,30)
InChIKeyNOPGENDZYZEKSJ-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.64
Rot. Bonds9

About 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide

2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide (PubChem CID 56510286) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
PubChem CID56510286
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
SMILESCC(C1CC1)n1nccc1NC(=O)CN1CCC(CN(C)Cc2ccccc2)CC1
InChIInChI=1S/C24H35N5O/c1-19(22-8-9-22)29-23(10-13-25-29)26-24(30)18-28-14-11-21(12-15-28)17-27(2)16-20-6-4-3-5-7-20/h3-7,10,13,19,21-22H,8-9,11-12,14-18H2,1-2H3,(H,26,30)
InChIKeyNOPGENDZYZEKSJ-UHFFFAOYSA-N
XLogP3.64
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56509640
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
3-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911922
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112761644
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504018
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 78898163
1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide
CID 112761495
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 98157374
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 115647959
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
N-(3-chlorophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 60509085

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide (CID 56510286) is 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide is CC(C1CC1)n1nccc1NC(=O)CN1CCC(CN(C)Cc2ccccc2)CC1.
What is the InChIKey of 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide?
The InChIKey is NOPGENDZYZEKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-19(22-8-9-22)29-23(10-13-25-29)26-24(30)18-28-14-11-21(12-15-28)17-27(2)16-20-6-4-3-5-7-20/h3-7,10,13,19,21-22H,8-9,11-12,14-18H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide?
2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide has a molecular weight of 409.58 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 56510286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).