N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide

C13H30N4O2 — CID 145399713

IUPACN,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN(C)C.CN1CCN(CC(=O)NCCCO)CC1
InChIInChI=1S/C10H21N3O2.C3H9N/c1-12-4-6-13(7-5-12)9-10(15)11-3-2-8-14;1-4(2)3/h14H,2-9H2,1H3,(H,11,15);1-3H3
InChIKeyOAVFEGJJUHTOMI-UHFFFAOYSA-N
MW274.41 g/mol
LogP-1.09
Rot. Bonds5

About N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide

N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 145399713) has the molecular formula C13H30N4O2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID145399713
Molecular FormulaC13H30N4O2
Molecular Weight274.41 g/mol
Exact Mass274.24
IUPAC NameN,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN(C)C.CN1CCN(CC(=O)NCCCO)CC1
InChIInChI=1S/C10H21N3O2.C3H9N/c1-12-4-6-13(7-5-12)9-10(15)11-3-2-8-14;1-4(2)3/h14H,2-9H2,1H3,(H,11,15);1-3H3
InChIKeyOAVFEGJJUHTOMI-UHFFFAOYSA-N
XLogP-1.09
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745891
1-(4-Hydroxypiperidin-1-yl)-2-(methylamino)ethan-1-one hydrochloride
CID 45791923
N-(3-methoxypropyl)-2-(piperazin-1-yl)acetamide dihydrochloride
CID 137964607
1-(4-Hydroxypiperidin-1-yl)-2-(methylamino)ethan-1-one
CID 24691079
N,N'-bis(3-hydroxypropyl)ethanediamide
CID 2106430
N-butyl-N'-(3-hydroxypropyl)ethanediamide
CID 2889900
N-ethyl-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60278251
2-[(2,2-Difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106176651
N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide
CID 106176935
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 114154234
2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 115666312
4-(2,2-Difluoro-3-hydroxypropyl)piperazin-2-one
CID 130662608

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 145399713) is N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide is CN(C)C.CN1CCN(CC(=O)NCCCO)CC1.
What is the InChIKey of N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is OAVFEGJJUHTOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.C3H9N/c1-12-4-6-13(7-5-12)9-10(15)11-3-2-8-14;1-4(2)3/h14H,2-9H2,1H3,(H,11,15);1-3H3.
What are the key properties of N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide?
N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 274.41 g/mol, XLogP of -1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 145399713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).