4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide

C21H29N5O4 — CID 167463149

IUPAC4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide
SMILESNC1CCN(C(=O)CCCNc2ccc(C(=O)NC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C21H29N5O4/c22-15-9-12-26(13-10-15)19(28)2-1-11-23-16-5-3-14(4-6-16)20(29)24-17-7-8-18(27)25-21(17)30/h3-6,15,17,23H,1-2,7-13,22H2,(H,24,29)(H,25,27,30)
InChIKeyCVSIBVRGNNPXBL-UHFFFAOYSA-N
MW415.49 g/mol
LogP0.36
Rot. Bonds7

About 4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide

4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide (PubChem CID 167463149) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide
PubChem CID167463149
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide
SMILESNC1CCN(C(=O)CCCNc2ccc(C(=O)NC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C21H29N5O4/c22-15-9-12-26(13-10-15)19(28)2-1-11-23-16-5-3-14(4-6-16)20(29)24-17-7-8-18(27)25-21(17)30/h3-6,15,17,23H,1-2,7-13,22H2,(H,24,29)(H,25,27,30)
InChIKeyCVSIBVRGNNPXBL-UHFFFAOYSA-N
XLogP0.36
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide?
The IUPAC name of 4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide (CID 167463149) is 4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide.
What is the SMILES notation for 4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide?
The canonical SMILES for 4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide is NC1CCN(C(=O)CCCNc2ccc(C(=O)NC3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide?
The InChIKey is CVSIBVRGNNPXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c22-15-9-12-26(13-10-15)19(28)2-1-11-23-16-5-3-14(4-6-16)20(29)24-17-7-8-18(27)25-21(17)30/h3-6,15,17,23H,1-2,7-13,22H2,(H,24,29)(H,25,27,30).
What are the key properties of 4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide?
4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide has a molecular weight of 415.49 g/mol, XLogP of 0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide is sourced from PubChem (CID 167463149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).