N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide

C23H33N3O3 — CID 90675581

IUPACN-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C1
InChIInChI=1S/C23H33N3O3/c1-23(2,3)22(29)24-14-18-10-7-13-25(15-18)21(28)19-11-12-20(27)26(19)16-17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-16H2,1-3H3,(H,24,29)/t18?,19-/m0/s1
InChIKeyULBCYACPECVNJZ-GGYWPGCISA-N
MW399.54 g/mol
LogP2.58
Rot. Bonds5

About N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide

N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 90675581) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
PubChem CID90675581
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C1
InChIInChI=1S/C23H33N3O3/c1-23(2,3)22(29)24-14-18-10-7-13-25(15-18)21(28)19-11-12-20(27)26(19)16-17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-16H2,1-3H3,(H,24,29)/t18?,19-/m0/s1
InChIKeyULBCYACPECVNJZ-GGYWPGCISA-N
XLogP2.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide (CID 90675581) is N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C1.
What is the InChIKey of N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is ULBCYACPECVNJZ-GGYWPGCISA-N. The full InChI is InChI=1S/C23H33N3O3/c1-23(2,3)22(29)24-14-18-10-7-13-25(15-18)21(28)19-11-12-20(27)26(19)16-17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-16H2,1-3H3,(H,24,29)/t18?,19-/m0/s1.
What are the key properties of N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 399.54 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 90675581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).