(2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide

C18H28N4O3 — CID 92632600

IUPAC(2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCO[C@](C)(C(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C18H28N4O3/c1-13-10-14(2)22(20-13)11-16(23)21-8-9-25-18(3,12-21)17(24)19-15-6-4-5-7-15/h10,15H,4-9,11-12H2,1-3H3,(H,19,24)/t18-/m0/s1
InChIKeyZMSGYBCAYKDZSV-SFHVURJKSA-N
MW348.45 g/mol
LogP1.18
Rot. Bonds4

About (2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide

(2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide (PubChem CID 92632600) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide
PubChem CID92632600
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCO[C@](C)(C(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C18H28N4O3/c1-13-10-14(2)22(20-13)11-16(23)21-8-9-25-18(3,12-21)17(24)19-15-6-4-5-7-15/h10,15H,4-9,11-12H2,1-3H3,(H,19,24)/t18-/m0/s1
InChIKeyZMSGYBCAYKDZSV-SFHVURJKSA-N
XLogP1.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide
CID 110268310
(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide
CID 92632665
(2R)-N-cyclopentyl-2-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)morpholine-2-carboxamide
CID 92632661
N-cyclopentyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19466000
methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 79833334
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270
(2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide
CID 124994949
1-[2-(azepane-1-carbonyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 110246407
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007709
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023247

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide (CID 92632600) is (2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide is Cc1cc(C)n(CC(=O)N2CCO[C@](C)(C(=O)NC3CCCC3)C2)n1.
What is the InChIKey of (2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide?
The InChIKey is ZMSGYBCAYKDZSV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-10-14(2)22(20-13)11-16(23)21-8-9-25-18(3,12-21)17(24)19-15-6-4-5-7-15/h10,15H,4-9,11-12H2,1-3H3,(H,19,24)/t18-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide?
(2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 92632600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).