N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide

C25H39N5O2 — CID 91322048

IUPACN-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide
SMILESCN1CCN(C(=O)C2CCN(Cc3cccc(C(=O)N(N)C4CCCCC4)c3)CC2)CC1
InChIInChI=1S/C25H39N5O2/c1-27-14-16-29(17-15-27)24(31)21-10-12-28(13-11-21)19-20-6-5-7-22(18-20)25(32)30(26)23-8-3-2-4-9-23/h5-7,18,21,23H,2-4,8-17,19,26H2,1H3
InChIKeyIGJWFDJHBRMSRK-UHFFFAOYSA-N
MW441.62 g/mol
LogP2.32
Rot. Bonds5

About N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide

N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide (PubChem CID 91322048) has the molecular formula C25H39N5O2 and a molecular weight of 441.62 g/mol. Its IUPAC name is N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide
PubChem CID91322048
Molecular FormulaC25H39N5O2
Molecular Weight441.62 g/mol
Exact Mass441.31
IUPAC NameN-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide
SMILESCN1CCN(C(=O)C2CCN(Cc3cccc(C(=O)N(N)C4CCCCC4)c3)CC2)CC1
InChIInChI=1S/C25H39N5O2/c1-27-14-16-29(17-15-27)24(31)21-10-12-28(13-11-21)19-20-6-5-7-22(18-20)25(32)30(26)23-8-3-2-4-9-23/h5-7,18,21,23H,2-4,8-17,19,26H2,1H3
InChIKeyIGJWFDJHBRMSRK-UHFFFAOYSA-N
XLogP2.32
TPSA73.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 91373409
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
methyl 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]benzoate
CID 59382052
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide;2,2,2-trifluoroacetic acid
CID 68538385
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide
CID 122152760
cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725004
[1-[(3-bromophenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 1096603
ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 43920601
(3-hydroxypiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 111536594
[4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119423563
[(3R,6S)-6-(dimethylamino)-1-methylazepan-3-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 165417324

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide?
The IUPAC name of N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide (CID 91322048) is N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide.
What is the SMILES notation for N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide?
The canonical SMILES for N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide is CN1CCN(C(=O)C2CCN(Cc3cccc(C(=O)N(N)C4CCCCC4)c3)CC2)CC1.
What is the InChIKey of N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide?
The InChIKey is IGJWFDJHBRMSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O2/c1-27-14-16-29(17-15-27)24(31)21-10-12-28(13-11-21)19-20-6-5-7-22(18-20)25(32)30(26)23-8-3-2-4-9-23/h5-7,18,21,23H,2-4,8-17,19,26H2,1H3.
What are the key properties of N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide?
N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide has a molecular weight of 441.62 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide is sourced from PubChem (CID 91322048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).