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

C20H32N4O3 — CID 95872613

IUPACN-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCOC[C@@H]1CC(=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)/t17-/m0/s1
InChIKeyLCYRYHYWBPEFSB-KRWDZBQOSA-N
MW376.50 g/mol
LogP1.65
Rot. Bonds6

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

N-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide (PubChem CID 95872613) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide
PubChem CID95872613
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCOC[C@@H]1CC(=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)/t17-/m0/s1
InChIKeyLCYRYHYWBPEFSB-KRWDZBQOSA-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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Related Compounds

1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94103252
ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate
CID 46994260
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91785336
N-(3-ethylsulfanylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71979348
N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119620409
1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95352488
2-[(2R)-1-methylpiperidin-2-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51599887
N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide
CID 95877128
1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95603619
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 46673279
1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94616521

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide (CID 95872613) is N-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide is Cc1nn(C)c(C)c1CCC(=O)N1CCOC[C@@H]1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide?
The InChIKey is LCYRYHYWBPEFSB-KRWDZBQOSA-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)/t17-/m0/s1.
What are the key properties of N-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide?
N-cyclopentyl-2-[(3S)-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-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide is sourced from PubChem (CID 95872613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).