2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide

C22H32N4O3 — CID 162504384

IUPAC2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
SMILESCC(C)(C)C1CCN(CC(=O)Nc2cccc(NC3CCC(=O)NC3=O)c2)CC1
InChIInChI=1S/C22H32N4O3/c1-22(2,3)15-9-11-26(12-10-15)14-20(28)24-17-6-4-5-16(13-17)23-18-7-8-19(27)25-21(18)29/h4-6,13,15,18,23H,7-12,14H2,1-3H3,(H,24,28)(H,25,27,29)
InChIKeyBTPIZARXZNCEFQ-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.60
Rot. Bonds5

About 2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide

2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide (PubChem CID 162504384) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
PubChem CID162504384
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
SMILESCC(C)(C)C1CCN(CC(=O)Nc2cccc(NC3CCC(=O)NC3=O)c2)CC1
InChIInChI=1S/C22H32N4O3/c1-22(2,3)15-9-11-26(12-10-15)14-20(28)24-17-6-4-5-16(13-17)23-18-7-8-19(27)25-21(18)29/h4-6,13,15,18,23H,7-12,14H2,1-3H3,(H,24,28)(H,25,27,29)
InChIKeyBTPIZARXZNCEFQ-UHFFFAOYSA-N
XLogP2.60
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide
CID 170042265
(3R)-4-[2-[3-[(2,6-dioxopiperidin-3-yl)amino]anilino]-2-oxoethyl]-3-(trifluoromethyl)piperazine-1-carboxylic acid
CID 175394761
3-(3-acetylanilino)piperidine-2,6-dione;ethane
CID 170751142
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080
2-[4-[[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]phenoxy]methyl]piperidin-1-yl]-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162351038
N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide
CID 167071320
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 170749885
tert-butyl 3-[[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]amino]pyrrolidine-1-carboxylate
CID 164720239
2-[4-[2-(difluoromethyl)-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetic acid
CID 156515724
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide (CID 162504384) is 2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide is CC(C)(C)C1CCN(CC(=O)Nc2cccc(NC3CCC(=O)NC3=O)c2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide?
The InChIKey is BTPIZARXZNCEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-22(2,3)15-9-11-26(12-10-15)14-20(28)24-17-6-4-5-16(13-17)23-18-7-8-19(27)25-21(18)29/h4-6,13,15,18,23H,7-12,14H2,1-3H3,(H,24,28)(H,25,27,29).
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide?
2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 162504384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).