N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide

C21H29N3O3 — CID 87234468

IUPACN-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3CCC4(CC4)CC3C(=O)NO)CC2)c1
InChIInChI=1S/C21H29N3O3/c1-15-3-2-4-16(13-15)23-9-11-24(12-10-23)20(26)17-5-6-21(7-8-21)14-18(17)19(25)22-27/h2-4,13,17-18,27H,5-12,14H2,1H3,(H,22,25)
InChIKeyUVEMIDRQPPEAFV-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.35
Rot. Bonds3

About N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide

N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide (PubChem CID 87234468) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide
PubChem CID87234468
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3CCC4(CC4)CC3C(=O)NO)CC2)c1
InChIInChI=1S/C21H29N3O3/c1-15-3-2-4-16(13-15)23-9-11-24(12-10-23)20(26)17-5-6-21(7-8-21)14-18(17)19(25)22-27/h2-4,13,17-18,27H,5-12,14H2,1H3,(H,22,25)
InChIKeyUVEMIDRQPPEAFV-UHFFFAOYSA-N
XLogP2.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 154853506
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139007
(6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide
CID 87234865
[4-(3-methylphenyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133316
(1S,2S,5S)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-prop-2-enylcyclohexane-1-carboxamide
CID 87348158
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109144708
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
N-(4-chlorophenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139020
2-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133498
N-hydroxy-5-methylsulfonyl-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
CID 87234267
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide?
The IUPAC name of N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide (CID 87234468) is N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide.
What is the SMILES notation for N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide?
The canonical SMILES for N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide is Cc1cccc(N2CCN(C(=O)C3CCC4(CC4)CC3C(=O)NO)CC2)c1.
What is the InChIKey of N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide?
The InChIKey is UVEMIDRQPPEAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-3-2-4-16(13-15)23-9-11-24(12-10-23)20(26)17-5-6-21(7-8-21)14-18(17)19(25)22-27/h2-4,13,17-18,27H,5-12,14H2,1H3,(H,22,25).
What are the key properties of N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide?
N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-(3-methylphenyl)piperazine-1-carbonyl]spiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 87234468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).