4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide

C23H33N3O3 — CID 36802749

IUPAC4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C23H33N3O3/c1-23(2,3)19-8-6-17(7-9-19)21(28)24-16-20(27)25-14-10-18(11-15-25)22(29)26-12-4-5-13-26/h6-9,18H,4-5,10-16H2,1-3H3,(H,24,28)
InChIKeyMAZAYZZKYIVUME-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.57
Rot. Bonds4

About 4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide

4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 36802749) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
PubChem CID36802749
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C23H33N3O3/c1-23(2,3)19-8-6-17(7-9-19)21(28)24-16-20(27)25-14-10-18(11-15-25)22(29)26-12-4-5-13-26/h6-9,18H,4-5,10-16H2,1-3H3,(H,24,28)
InChIKeyMAZAYZZKYIVUME-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533814
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 55837955
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762
4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide
CID 86891176
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349224
N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55949190
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208
tert-butyl N-[2-[4-[[(4-tert-butylbenzoyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916462
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide (CID 36802749) is 4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is MAZAYZZKYIVUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-23(2,3)19-8-6-17(7-9-19)21(28)24-16-20(27)25-14-10-18(11-15-25)22(29)26-12-4-5-13-26/h6-9,18H,4-5,10-16H2,1-3H3,(H,24,28).
What are the key properties of 4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide?
4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 399.54 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 36802749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).