N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C19H29N3O3 — CID 113159072

IUPACN-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCCC(C)N(CC(=O)N1CCN(c2ccccc2OC)CC1)C(C)=O
InChIInChI=1S/C19H29N3O3/c1-5-15(2)22(16(3)23)14-19(24)21-12-10-20(11-13-21)17-8-6-7-9-18(17)25-4/h6-9,15H,5,10-14H2,1-4H3
InChIKeyHNENBJTVNHAGAK-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.99
Rot. Bonds6

About N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 113159072) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID113159072
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCCC(C)N(CC(=O)N1CCN(c2ccccc2OC)CC1)C(C)=O
InChIInChI=1S/C19H29N3O3/c1-5-15(2)22(16(3)23)14-19(24)21-12-10-20(11-13-21)17-8-6-7-9-18(17)25-4/h6-9,15H,5,10-14H2,1-4H3
InChIKeyHNENBJTVNHAGAK-UHFFFAOYSA-N
XLogP1.99
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
N-cyclopentyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159270
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113115973
N-[2-(dimethylamino)ethyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113149824
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
CID 113153244
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109003360
N-(furan-2-ylmethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161025
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
CID 71820790
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylmethanesulfonamide
CID 113136108

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 113159072) is N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is CCC(C)N(CC(=O)N1CCN(c2ccccc2OC)CC1)C(C)=O.
What is the InChIKey of N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is HNENBJTVNHAGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-15(2)22(16(3)23)14-19(24)21-12-10-20(11-13-21)17-8-6-7-9-18(17)25-4/h6-9,15H,5,10-14H2,1-4H3.
What are the key properties of N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 113159072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).