N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

C18H27N3O3 — CID 124589509

IUPACN-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc([C@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)NC(C)=O)cc1
InChIInChI=1S/C18H27N3O3/c1-12-10-21(11-13(2)19-12)18(23)9-17(20-14(3)22)15-5-7-16(24-4)8-6-15/h5-8,12-13,17,19H,9-11H2,1-4H3,(H,20,22)/t12-,13-,17-/m0/s1
InChIKeyKITGGDINMYKLLZ-DCGLDWPTSA-N
MW333.43 g/mol
LogP1.47
Rot. Bonds5

About N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (PubChem CID 124589509) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
PubChem CID124589509
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc([C@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)NC(C)=O)cc1
InChIInChI=1S/C18H27N3O3/c1-12-10-21(11-13(2)19-12)18(23)9-17(20-14(3)22)15-5-7-16(24-4)8-6-15/h5-8,12-13,17,19H,9-11H2,1-4H3,(H,20,22)/t12-,13-,17-/m0/s1
InChIKeyKITGGDINMYKLLZ-DCGLDWPTSA-N
XLogP1.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684724
N-[(1R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684720
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119580068
N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124687153
N-[(1R)-1-(4-chlorophenyl)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 25477270
1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 42920354
N-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 134046871
N-[3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 126777176
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
3-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)butan-1-one
CID 119579126
(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (CID 124589509) is N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is COc1ccc([C@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)NC(C)=O)cc1.
What is the InChIKey of N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The InChIKey is KITGGDINMYKLLZ-DCGLDWPTSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12-10-21(11-13(2)19-12)18(23)9-17(20-14(3)22)15-5-7-16(24-4)8-6-15/h5-8,12-13,17,19H,9-11H2,1-4H3,(H,20,22)/t12-,13-,17-/m0/s1.
What are the key properties of N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 124589509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).