N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

C12H24N4OS2 — CID 123146265

IUPACN-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CCCN(SS)C2)CC1
InChIInChI=1S/C12H24N4OS2/c1-14-5-7-15(8-6-14)10-12(17)13-11-3-2-4-16(9-11)19-18/h11,18H,2-10H2,1H3,(H,13,17)
InChIKeyTUSTZZSYFPQICV-UHFFFAOYSA-N
MW304.49 g/mol
LogP0.31
Rot. Bonds4

About N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 123146265) has the molecular formula C12H24N4OS2 and a molecular weight of 304.49 g/mol. Its IUPAC name is N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID123146265
Molecular FormulaC12H24N4OS2
Molecular Weight304.49 g/mol
Exact Mass304.14
IUPAC NameN-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CCCN(SS)C2)CC1
InChIInChI=1S/C12H24N4OS2/c1-14-5-7-15(8-6-14)10-12(17)13-11-3-2-4-16(9-11)19-18/h11,18H,2-10H2,1H3,(H,13,17)
InChIKeyTUSTZZSYFPQICV-UHFFFAOYSA-N
XLogP0.31
TPSA38.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide 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

1-(2-Oxo-2-piperidin-1-ylethyl)piperazine
CID 2760439
(S)-4-Amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)-butan-1-one
CID 10468265
4-[(2R,3S)-3-(3-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166630060
4-[3-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 132047299
N,N'-Ethylenebis-1-piperidineacetamide
CID 2920518
4-[1-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166631267
Me-Cys(1)-piperidide.Me-Cys(1)-piperidide
CID 76684255
N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide
CID 42955196
N-(1-ethylpiperidin-4-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
CID 51107039
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide
CID 826488
1-(2-Methylpiperidin-1-yl)-2-(piperazin-1-yl)ethan-1-one
CID 16769652

Frequently Asked Questions

What is the IUPAC name of N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 123146265) is N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NC2CCCN(SS)C2)CC1.
What is the InChIKey of N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is TUSTZZSYFPQICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4OS2/c1-14-5-7-15(8-6-14)10-12(17)13-11-3-2-4-16(9-11)19-18/h11,18H,2-10H2,1H3,(H,13,17).
What are the key properties of N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 304.49 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(disulfanyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 123146265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).