2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide

C22H33N3O2 — CID 55972376

IUPAC2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)NC(C(=O)Nc1ccc(CN2CCC(C)CC2)cc1)C1CCCC1
InChIInChI=1S/C22H33N3O2/c1-16-11-13-25(14-12-16)15-18-7-9-20(10-8-18)24-22(27)21(23-17(2)26)19-5-3-4-6-19/h7-10,16,19,21H,3-6,11-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyPIRGQLHSUKLZTK-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.55
Rot. Bonds6

About 2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide

2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide (PubChem CID 55972376) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
PubChem CID55972376
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)NC(C(=O)Nc1ccc(CN2CCC(C)CC2)cc1)C1CCCC1
InChIInChI=1S/C22H33N3O2/c1-16-11-13-25(14-12-16)15-18-7-9-20(10-8-18)24-22(27)21(23-17(2)26)19-5-3-4-6-19/h7-10,16,19,21H,3-6,11-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyPIRGQLHSUKLZTK-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 42962486
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
2-acetamido-2-cyclopentyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 42924063
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide
CID 51272392
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
(2R)-2-acetamido-N-(4-cyanophenyl)-2-cyclopentylacetamide
CID 25469679
2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55734095

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide (CID 55972376) is 2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide is CC(=O)NC(C(=O)Nc1ccc(CN2CCC(C)CC2)cc1)C1CCCC1.
What is the InChIKey of 2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is PIRGQLHSUKLZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16-11-13-25(14-12-16)15-18-7-9-20(10-8-18)24-22(27)21(23-17(2)26)19-5-3-4-6-19/h7-10,16,19,21H,3-6,11-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide?
2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 371.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 55972376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).