N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide

C21H29N5O5 — CID 11396321

IUPACN-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C2C(C(=O)NO)CC3(CC3)CN2C)CC1
InChIInChI=1S/C21H29N5O5/c1-14-11-15(26(30)31)3-4-17(14)24-7-9-25(10-8-24)20(28)18-16(19(27)22-29)12-21(5-6-21)13-23(18)2/h3-4,11,16,18,29H,5-10,12-13H2,1-2H3,(H,22,27)
InChIKeyGEKIDZYSKJWHLN-UHFFFAOYSA-N
MW431.49 g/mol
LogP1.16
Rot. Bonds4

About N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide

N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 11396321) has the molecular formula C21H29N5O5 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID11396321
Molecular FormulaC21H29N5O5
Molecular Weight431.49 g/mol
Exact Mass431.22
IUPAC NameN-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C2C(C(=O)NO)CC3(CC3)CN2C)CC1
InChIInChI=1S/C21H29N5O5/c1-14-11-15(26(30)31)3-4-17(14)24-7-9-25(10-8-24)20(28)18-16(19(27)22-29)12-21(5-6-21)13-23(18)2/h3-4,11,16,18,29H,5-10,12-13H2,1-2H3,(H,22,27)
InChIKeyGEKIDZYSKJWHLN-UHFFFAOYSA-N
XLogP1.16
TPSA119.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S,7S)-N-hydroxy-7-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]spiro[2.5]octane-6-carboxamide
CID 59305101
(6S,7S)-N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87653039
6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757369
(6S,7S)-N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87767989
6-[4-(4-cyano-2-methylphenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
CID 87234273
(6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87234429
4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol
CID 133362602
(2-fluorophenyl)-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]methanone
CID 2964854
1-tert-butyl-4-(2-methyl-4-nitrophenyl)piperazine
CID 70571438
N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide
CID 87234468
1H-indol-2-yl-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]methanone
CID 174696608
(E)-3-(furan-2-yl)-1-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 21211975

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide (CID 11396321) is N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide is Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C2C(C(=O)NO)CC3(CC3)CN2C)CC1.
What is the InChIKey of N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is GEKIDZYSKJWHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O5/c1-14-11-15(26(30)31)3-4-17(14)24-7-9-25(10-8-24)20(28)18-16(19(27)22-29)12-21(5-6-21)13-23(18)2/h3-4,11,16,18,29H,5-10,12-13H2,1-2H3,(H,22,27).
What are the key properties of N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 11396321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).