N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide

C18H25N3O3 — CID 113175886

IUPACN-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)N2CCC(C)CC2)C(C)=O)cc1
InChIInChI=1S/C18H25N3O3/c1-13-8-10-20(11-9-13)18(24)12-21(15(3)23)17-6-4-16(5-7-17)19-14(2)22/h4-7,13H,8-12H2,1-3H3,(H,19,22)
InChIKeyXMWDPXZYJHKFAN-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.26
Rot. Bonds4

About N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide

N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide (PubChem CID 113175886) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
PubChem CID113175886
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)N2CCC(C)CC2)C(C)=O)cc1
InChIInChI=1S/C18H25N3O3/c1-13-8-10-20(11-9-13)18(24)12-21(15(3)23)17-6-4-16(5-7-17)19-14(2)22/h4-7,13H,8-12H2,1-3H3,(H,19,22)
InChIKeyXMWDPXZYJHKFAN-UHFFFAOYSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113176828
N-[4-[acetyl-(2-oxo-2-piperidin-1-ylethyl)amino]phenyl]acetamide
CID 46945104
N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175895
N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175931
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113178396
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113174822
N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131128
N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113180832
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113175111
2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993776
2-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729509
N-(4-ethylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113169288

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide (CID 113175886) is N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N(CC(=O)N2CCC(C)CC2)C(C)=O)cc1.
What is the InChIKey of N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide?
The InChIKey is XMWDPXZYJHKFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-8-10-20(11-9-13)18(24)12-21(15(3)23)17-6-4-16(5-7-17)19-14(2)22/h4-7,13H,8-12H2,1-3H3,(H,19,22).
What are the key properties of N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide?
N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide is sourced from PubChem (CID 113175886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).