N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide

C22H31N5O3 — CID 174216532

IUPACN-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCNCC1)C1CCN(c2ccc([C@@H]3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C22H31N5O3/c1-26(22(30)15-6-10-23-11-7-15)17-8-12-27(13-9-17)19-4-2-16(14-24-19)18-3-5-20(28)25-21(18)29/h2,4,14-15,17-18,23H,3,5-13H2,1H3,(H,25,28,29)/t18-/m0/s1
InChIKeyXROFQIVOPGDQLR-SFHVURJKSA-N
MW413.52 g/mol
LogP1.03
Rot. Bonds4

About N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide

N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 174216532) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
PubChem CID174216532
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC NameN-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCNCC1)C1CCN(c2ccc([C@@H]3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C22H31N5O3/c1-26(22(30)15-6-10-23-11-7-15)17-8-12-27(13-9-17)19-4-2-16(14-24-19)18-3-5-20(28)25-21(18)29/h2,4,14-15,17-18,23H,3,5-13H2,1H3,(H,25,28,29)/t18-/m0/s1
InChIKeyXROFQIVOPGDQLR-SFHVURJKSA-N
XLogP1.03
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
CID 166116993
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 167474741
1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 168882542
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962
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-oxo-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
CID 167474963
3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113430
tert-butyl 1-[2-[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]acetyl]-4-methylpiperidine-4-carboxylate
CID 172570460
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335504

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide (CID 174216532) is N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide is CN(C(=O)C1CCNCC1)C1CCN(c2ccc([C@@H]3CCC(=O)NC3=O)cn2)CC1.
What is the InChIKey of N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is XROFQIVOPGDQLR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-26(22(30)15-6-10-23-11-7-15)17-8-12-27(13-9-17)19-4-2-16(14-24-19)18-3-5-20(28)25-21(18)29/h2,4,14-15,17-18,23H,3,5-13H2,1H3,(H,25,28,29)/t18-/m0/s1.
What are the key properties of N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 174216532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).