N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H29N3O2 — CID 112604362

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCN1CCN(CCCNC(=O)COC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-12-13(18)15-6-5-7-17-10-8-16(4)9-11-17/h5-12H2,1-4H3,(H,15,18)
InChIKeyAEDJGSDXEVJHQJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.56
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604362) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604362
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCN1CCN(CCCNC(=O)COC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-12-13(18)15-6-5-7-17-10-8-16(4)9-11-17/h5-12H2,1-4H3,(H,15,18)
InChIKeyAEDJGSDXEVJHQJ-UHFFFAOYSA-N
XLogP0.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.56
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

N-[3-(4-methylpiperidin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604980
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
CID 61251319
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605264
2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 114328411
2-[(2-methylpropan-2-yl)oxy]-N-(3-sulfanylpropyl)acetamide
CID 155051712
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64610391
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
N-(6-bromohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107847524
2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 142043493

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604362) is N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CN1CCN(CCCNC(=O)COC(C)(C)C)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is AEDJGSDXEVJHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,3)19-12-13(18)15-6-5-7-17-10-8-16(4)9-11-17/h5-12H2,1-4H3,(H,15,18).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 271.40 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).