4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide

C20H28N4O — CID 122559335

IUPAC4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCC(Cc3ccccc3)CC2)c(C)n1
InChIInChI=1S/C20H28N4O/c1-3-24-15-19(16(2)22-24)14-21-20(25)23-11-9-18(10-12-23)13-17-7-5-4-6-8-17/h4-8,15,18H,3,9-14H2,1-2H3,(H,21,25)
InChIKeyYMEKHKRSDNZFKV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.38
Rot. Bonds5

About 4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide

4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 122559335) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
PubChem CID122559335
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCC(Cc3ccccc3)CC2)c(C)n1
InChIInChI=1S/C20H28N4O/c1-3-24-15-19(16(2)22-24)14-21-20(25)23-11-9-18(10-12-23)13-17-7-5-4-6-8-17/h4-8,15,18H,3,9-14H2,1-2H3,(H,21,25)
InChIKeyYMEKHKRSDNZFKV-UHFFFAOYSA-N
XLogP3.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 19288572
(3S)-3-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 95930872
3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 122561054
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 126424800
N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139846
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
4-benzyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113214035

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide (CID 122559335) is 4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide is CCn1cc(CNC(=O)N2CCC(Cc3ccccc3)CC2)c(C)n1.
What is the InChIKey of 4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is YMEKHKRSDNZFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-24-15-19(16(2)22-24)14-21-20(25)23-11-9-18(10-12-23)13-17-7-5-4-6-8-17/h4-8,15,18H,3,9-14H2,1-2H3,(H,21,25).
What are the key properties of 4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 122559335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).