N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide

C19H27N3O3 — CID 113131128

IUPACN-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)N2CCCC(C)C2)C(C)=O)cc1
InChIInChI=1S/C19H27N3O3/c1-14-5-4-11-21(13-14)19(25)10-12-22(16(3)24)18-8-6-17(7-9-18)20-15(2)23/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,23)
InChIKeySYWVRAUVCAWMQA-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.65
Rot. Bonds5

About N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide

N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide (PubChem CID 113131128) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
PubChem CID113131128
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)N2CCCC(C)C2)C(C)=O)cc1
InChIInChI=1S/C19H27N3O3/c1-14-5-4-11-21(13-14)19(25)10-12-22(16(3)24)18-8-6-17(7-9-18)20-15(2)23/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,23)
InChIKeySYWVRAUVCAWMQA-UHFFFAOYSA-N
XLogP2.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113130996
N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131127
N-(2-fluorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113126709
N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175886
N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113133995
N-(4-ethylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113169288
N-[4-[acetyl-(2-oxo-2-piperidin-1-ylethyl)amino]phenyl]acetamide
CID 46945104
3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide
CID 113131068
N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127873
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 4652070
N-[(4-methylphenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118795
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide (CID 113131128) is N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N(CCC(=O)N2CCCC(C)C2)C(C)=O)cc1.
What is the InChIKey of N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
The InChIKey is SYWVRAUVCAWMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-5-4-11-21(13-14)19(25)10-12-22(16(3)24)18-8-6-17(7-9-18)20-15(2)23/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,23).
What are the key properties of N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide is sourced from PubChem (CID 113131128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).