(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

C18H28ClN3O2 — CID 28564718

IUPAC(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C18H28ClN3O2/c1-3-17(24-16-7-4-6-15(19)14-16)18(23)20-8-5-9-22-12-10-21(2)11-13-22/h4,6-7,14,17H,3,5,8-13H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeySIWZAIUKKAZUFD-QGZVFWFLSA-N
MW353.89 g/mol
LogP2.25
Rot. Bonds8

About (2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide (PubChem CID 28564718) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
PubChem CID28564718
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C18H28ClN3O2/c1-3-17(24-16-7-4-6-15(19)14-16)18(23)20-8-5-9-22-12-10-21(2)11-13-22/h4,6-7,14,17H,3,5,8-13H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeySIWZAIUKKAZUFD-QGZVFWFLSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109
2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 132760616
(2R)-N-[3-(azepan-1-yl)propyl]-2-(3-methylphenoxy)butanamide
CID 30399469
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 43885146
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486249
2-(3-methylphenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393618
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486474
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712
(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 27234131

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide (CID 28564718) is (2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide is CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The InChIKey is SIWZAIUKKAZUFD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28ClN3O2/c1-3-17(24-16-7-4-6-15(19)14-16)18(23)20-8-5-9-22-12-10-21(2)11-13-22/h4,6-7,14,17H,3,5,8-13H2,1-2H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide has a molecular weight of 353.89 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 28564718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).