N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide

C15H25ClN4O — CID 56747299

IUPACN-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCCc1nn(C)c(Cl)c1CN1CCCC(CNC(C)=O)C1
InChIInChI=1S/C15H25ClN4O/c1-4-14-13(15(16)19(3)18-14)10-20-7-5-6-12(9-20)8-17-11(2)21/h12H,4-10H2,1-3H3,(H,17,21)
InChIKeyRAYUMSQMFPWRHD-UHFFFAOYSA-N
MW312.84 g/mol
LogP1.98
Rot. Bonds5

About N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide

N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 56747299) has the molecular formula C15H25ClN4O and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
PubChem CID56747299
Molecular FormulaC15H25ClN4O
Molecular Weight312.84 g/mol
Exact Mass312.17
IUPAC NameN-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCCc1nn(C)c(Cl)c1CN1CCCC(CNC(C)=O)C1
InChIInChI=1S/C15H25ClN4O/c1-4-14-13(15(16)19(3)18-14)10-20-7-5-6-12(9-20)8-17-11(2)21/h12H,4-10H2,1-3H3,(H,17,21)
InChIKeyRAYUMSQMFPWRHD-UHFFFAOYSA-N
XLogP1.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide (CID 56747299) is N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide is CCc1nn(C)c(Cl)c1CN1CCCC(CNC(C)=O)C1.
What is the InChIKey of N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is RAYUMSQMFPWRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-4-14-13(15(16)19(3)18-14)10-20-7-5-6-12(9-20)8-17-11(2)21/h12H,4-10H2,1-3H3,(H,17,21).
What are the key properties of N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 312.84 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 56747299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).