3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

C23H34N4O2 — CID 167474741

IUPAC3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESCN(CC1CCN(c2ccc(C3CCC(=O)NC3=O)cn2)CC1)C1CCCCC1
InChIInChI=1S/C23H34N4O2/c1-26(19-5-3-2-4-6-19)16-17-11-13-27(14-12-17)21-9-7-18(15-24-21)20-8-10-22(28)25-23(20)29/h7,9,15,17,19-20H,2-6,8,10-14,16H2,1H3,(H,25,28,29)
InChIKeyLHDKVYMDQKKDON-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.08
Rot. Bonds5

About 3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 167474741) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
PubChem CID167474741
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESCN(CC1CCN(c2ccc(C3CCC(=O)NC3=O)cn2)CC1)C1CCCCC1
InChIInChI=1S/C23H34N4O2/c1-26(19-5-3-2-4-6-19)16-17-11-13-27(14-12-17)21-9-7-18(15-24-21)20-8-10-22(28)25-23(20)29/h7,9,15,17,19-20H,2-6,8,10-14,16H2,1H3,(H,25,28,29)
InChIKeyLHDKVYMDQKKDON-UHFFFAOYSA-N
XLogP3.08
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
CID 166116993
N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 174216532
3-[6-(2-oxo-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
CID 167474963
1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 168882542
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
tert-butyl 1-[2-[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]acetyl]-4-methylpiperidine-4-carboxylate
CID 172570460
tert-butyl 4-[[4-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 171774165
1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882533
tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate
CID 172569961
3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113430

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 167474741) is 3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is CN(CC1CCN(c2ccc(C3CCC(=O)NC3=O)cn2)CC1)C1CCCCC1.
What is the InChIKey of 3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is LHDKVYMDQKKDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-26(19-5-3-2-4-6-19)16-17-11-13-27(14-12-17)21-9-7-18(15-24-21)20-8-10-22(28)25-23(20)29/h7,9,15,17,19-20H,2-6,8,10-14,16H2,1H3,(H,25,28,29).
What are the key properties of 3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 398.55 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 167474741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).