2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide

C14H29N3O — CID 43308231

IUPAC2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(C)C1CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)14(18)16-8-7-15-12(3)13-5-9-17(4)10-6-13/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyARJHSCBWCRWDQE-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.08
Rot. Bonds6

About 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide

2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide (PubChem CID 43308231) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide
PubChem CID43308231
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(C)C1CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)14(18)16-8-7-15-12(3)13-5-9-17(4)10-6-13/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyARJHSCBWCRWDQE-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
CID 103780903
ethyl 2-[1-(1-methylpiperidin-4-yl)ethylamino]acetate
CID 60811226
3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 119145626
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
N-[2-(1-cyclobutylethylamino)ethyl]acetamide
CID 107530057
1,4-dimethylpiperidine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271115
2-(1-cyclopentylethylamino)ethylurea
CID 83111257
N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307899

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide (CID 43308231) is 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide is CC(C)C(=O)NCCNC(C)C1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide?
The InChIKey is ARJHSCBWCRWDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)14(18)16-8-7-15-12(3)13-5-9-17(4)10-6-13/h11-13,15H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide?
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide is sourced from PubChem (CID 43308231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).