N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide

C19H31N3O2 — CID 86823532

IUPACN-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
SMILESCC(CNC(=O)C(C)OCc1ccccc1)CN1CCN(C)CC1
InChIInChI=1S/C19H31N3O2/c1-16(14-22-11-9-21(3)10-12-22)13-20-19(23)17(2)24-15-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3,(H,20,23)
InChIKeyDPFAGCOPEVDYQF-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.59
Rot. Bonds8

About N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide

N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide (PubChem CID 86823532) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
PubChem CID86823532
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
SMILESCC(CNC(=O)C(C)OCc1ccccc1)CN1CCN(C)CC1
InChIInChI=1S/C19H31N3O2/c1-16(14-22-11-9-21(3)10-12-22)13-20-19(23)17(2)24-15-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3,(H,20,23)
InChIKeyDPFAGCOPEVDYQF-UHFFFAOYSA-N
XLogP1.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
CID 86869523
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide
CID 94174701
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-phenylmethoxypropanamide
CID 47028899
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 75421066
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylmethoxypropanamide
CID 55657806
4-methyl-2-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 119252750
1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
CID 111507885
3-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 81064919

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide (CID 86823532) is N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide is CC(CNC(=O)C(C)OCc1ccccc1)CN1CCN(C)CC1.
What is the InChIKey of N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide?
The InChIKey is DPFAGCOPEVDYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16(14-22-11-9-21(3)10-12-22)13-20-19(23)17(2)24-15-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3,(H,20,23).
What are the key properties of N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide?
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide has a molecular weight of 333.48 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 86823532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).