N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide

C16H25N3O — CID 175743962

IUPACN-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide
SMILESCCC(=O)N[C@H](C)c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-4-16(20)17-13(2)14-6-5-7-15(12-14)19-10-8-18(3)9-11-19/h5-7,12-13H,4,8-11H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyZTOGYHWKYQOLBA-CYBMUJFWSA-N
MW275.40 g/mol
LogP2.03
Rot. Bonds4

About N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide

N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide (PubChem CID 175743962) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide
PubChem CID175743962
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide
SMILESCCC(=O)N[C@H](C)c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-4-16(20)17-13(2)14-6-5-7-15(12-14)19-10-8-18(3)9-11-19/h5-7,12-13H,4,8-11H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyZTOGYHWKYQOLBA-CYBMUJFWSA-N
XLogP2.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 71972333
methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate
CID 117415412
1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
CID 22605465
N-[(1R)-1-[3-(1,2-dihydroxyethyl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165115783
2-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117410747
3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride
CID 119900427
1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 65295071
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8530025
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688549
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22198819

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide (CID 175743962) is N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide is CCC(=O)N[C@H](C)c1cccc(N2CCN(C)CC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide?
The InChIKey is ZTOGYHWKYQOLBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-16(20)17-13(2)14-6-5-7-15(12-14)19-10-8-18(3)9-11-19/h5-7,12-13H,4,8-11H2,1-3H3,(H,17,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide?
N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 175743962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).