2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

C14H29N3O2 — CID 65461594

IUPAC2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CCNCC1(C)C
InChIInChI=1S/C14H29N3O2/c1-12(2)19-9-5-6-16-13(18)10-17-8-7-15-11-14(17,3)4/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyNDPYAGIDLWGZLY-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.60
Rot. Bonds7

About 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 65461594) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID65461594
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CCNCC1(C)C
InChIInChI=1S/C14H29N3O2/c1-12(2)19-9-5-6-16-13(18)10-17-8-7-15-11-14(17,3)4/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyNDPYAGIDLWGZLY-UHFFFAOYSA-N
XLogP0.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide
CID 65462165
2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
CID 65460562
2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 107424328
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 115305282
2-(2,2-dimethylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
CID 65462175
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 65461158
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide
CID 66290307
1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63032025
2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 56550582

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 65461594) is 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN1CCNCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is NDPYAGIDLWGZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(2)19-9-5-6-16-13(18)10-17-8-7-15-11-14(17,3)4/h12,15H,5-11H2,1-4H3,(H,16,18).
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 271.40 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 65461594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).