3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide

C18H28N4O5 — CID 123968517

IUPAC3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide
SMILESO=C(CC(CC1CCCC1)C(=O)N1N=CCC1C(=O)N1CCOCC1)NO
InChIInChI=1S/C18H28N4O5/c23-16(20-26)12-14(11-13-3-1-2-4-13)17(24)22-15(5-6-19-22)18(25)21-7-9-27-10-8-21/h6,13-15,26H,1-5,7-12H2,(H,20,23)
InChIKeyDHWUDUWIKYMDJD-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.52
Rot. Bonds6

About 3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide

3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide (PubChem CID 123968517) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide
PubChem CID123968517
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Name3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide
SMILESO=C(CC(CC1CCCC1)C(=O)N1N=CCC1C(=O)N1CCOCC1)NO
InChIInChI=1S/C18H28N4O5/c23-16(20-26)12-14(11-13-3-1-2-4-13)17(24)22-15(5-6-19-22)18(25)21-7-9-27-10-8-21/h6,13-15,26H,1-5,7-12H2,(H,20,23)
InChIKeyDHWUDUWIKYMDJD-UHFFFAOYSA-N
XLogP0.52
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide with MolForge

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Related Compounds

(3S)-2-[(2R)-2-(cyclopentylmethyl)-4-(hydroxyamino)-4-oxobutanoyl]-N,N-dimethyl-3,4-dihydropyrazole-3-carboxamide
CID 86706402
(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide
CID 59979568
(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide
CID 159115920
(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide
CID 172991396
(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 86741929
3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide
CID 139942487
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
CID 142042653
(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
CID 11781067
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) carbamate
CID 70335727

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide?
The IUPAC name of 3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide (CID 123968517) is 3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide.
What is the SMILES notation for 3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide?
The canonical SMILES for 3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide is O=C(CC(CC1CCCC1)C(=O)N1N=CCC1C(=O)N1CCOCC1)NO.
What is the InChIKey of 3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide?
The InChIKey is DHWUDUWIKYMDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5/c23-16(20-26)12-14(11-13-3-1-2-4-13)17(24)22-15(5-6-19-22)18(25)21-7-9-27-10-8-21/h6,13-15,26H,1-5,7-12H2,(H,20,23).
What are the key properties of 3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide?
3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide has a molecular weight of 380.45 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 123968517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).