N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide

C20H32N4O3 — CID 56898587

IUPACN-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCOCC1CC(=O)NC1CCCC1
InChIInChI=1S/C20H32N4O3/c1-14-18(15(2)23(3)22-14)8-9-20(26)24-10-11-27-13-17(24)12-19(25)21-16-6-4-5-7-16/h16-17H,4-13H2,1-3H3,(H,21,25)
InChIKeyLCYRYHYWBPEFSB-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.65
Rot. Bonds6

About N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide

N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide (PubChem CID 56898587) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide
PubChem CID56898587
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCOCC1CC(=O)NC1CCCC1
InChIInChI=1S/C20H32N4O3/c1-14-18(15(2)23(3)22-14)8-9-20(26)24-10-11-27-13-17(24)12-19(25)21-16-6-4-5-7-16/h16-17H,4-13H2,1-3H3,(H,21,25)
InChIKeyLCYRYHYWBPEFSB-UHFFFAOYSA-N
XLogP1.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide (CID 56898587) is N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide is Cc1nn(C)c(C)c1CCC(=O)N1CCOCC1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide?
The InChIKey is LCYRYHYWBPEFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-14-18(15(2)23(3)22-14)8-9-20(26)24-10-11-27-13-17(24)12-19(25)21-16-6-4-5-7-16/h16-17H,4-13H2,1-3H3,(H,21,25).
What are the key properties of N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide?
N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide is sourced from PubChem (CID 56898587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).