N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide

C17H27N3O2 — CID 96528343

IUPACN-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCOC[C@H](C)N1CCN(Cc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-14(13-22-3)20-9-7-19(8-10-20)12-16-5-4-6-17(11-16)18-15(2)21/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyUZZOARVRUIRKHP-AWEZNQCLSA-N
MW305.42 g/mol
LogP1.80
Rot. Bonds6

About N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide

N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 96528343) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide
PubChem CID96528343
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCOC[C@H](C)N1CCN(Cc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-14(13-22-3)20-9-7-19(8-10-20)12-16-5-4-6-17(11-16)18-15(2)21/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyUZZOARVRUIRKHP-AWEZNQCLSA-N
XLogP1.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
2-(2-methoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131930532
N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide
CID 42916797
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 95154450
(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258738
(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9130125
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
(2S,3S)-2-amino-3-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 61178548
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30622733
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide (CID 96528343) is N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide is COC[C@H](C)N1CCN(Cc2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is UZZOARVRUIRKHP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(13-22-3)20-9-7-19(8-10-20)12-16-5-4-6-17(11-16)18-15(2)21/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide?
N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 96528343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).