3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione

C22H34N4O2 — CID 170749885

IUPAC3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESNCCCCCCN1CCC(c2cccc(NC3CCC(=O)NC3=O)c2)CC1
InChIInChI=1S/C22H34N4O2/c23-12-3-1-2-4-13-26-14-10-17(11-15-26)18-6-5-7-19(16-18)24-20-8-9-21(27)25-22(20)28/h5-7,16-17,20,24H,1-4,8-15,23H2,(H,25,27,28)
InChIKeyCKWVKCNYEHCOSV-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.60
Rot. Bonds9

About 3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione

3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione (PubChem CID 170749885) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione
PubChem CID170749885
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESNCCCCCCN1CCC(c2cccc(NC3CCC(=O)NC3=O)c2)CC1
InChIInChI=1S/C22H34N4O2/c23-12-3-1-2-4-13-26-14-10-17(11-15-26)18-6-5-7-19(16-18)24-20-8-9-21(27)25-22(20)28/h5-7,16-17,20,24H,1-4,8-15,23H2,(H,25,27,28)
InChIKeyCKWVKCNYEHCOSV-UHFFFAOYSA-N
XLogP2.60
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione 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

3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935
3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane
CID 169082326
3-[1-(4-aminobutyl)piperidin-4-yl]aniline
CID 54467762
ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione
CID 166468015
2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162504384
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
5-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperazin-1-yl]pentanoic acid
CID 171637309
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
tert-butyl 1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidine-4-carboxylate
CID 172591957
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
CID 171098642

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione?
The IUPAC name of 3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione (CID 170749885) is 3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione is NCCCCCCN1CCC(c2cccc(NC3CCC(=O)NC3=O)c2)CC1.
What is the InChIKey of 3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione?
The InChIKey is CKWVKCNYEHCOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c23-12-3-1-2-4-13-26-14-10-17(11-15-26)18-6-5-7-19(16-18)24-20-8-9-21(27)25-22(20)28/h5-7,16-17,20,24H,1-4,8-15,23H2,(H,25,27,28).
What are the key properties of 3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione?
3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione has a molecular weight of 386.54 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 170749885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).