2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide

C16H32N4O — CID 80548101

IUPAC2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCC1CCN(CCNC(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-14-4-9-19(10-5-14)11-8-18-15(21)16(2,3)20-12-6-17-7-13-20/h14,17H,4-13H2,1-3H3,(H,18,21)
InChIKeyOBHBXJGLHLSBOD-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.52
Rot. Bonds5

About 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide

2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide (PubChem CID 80548101) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide
PubChem CID80548101
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCC1CCN(CCNC(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-14-4-9-19(10-5-14)11-8-18-15(21)16(2,3)20-12-6-17-7-13-20/h14,17H,4-13H2,1-3H3,(H,18,21)
InChIKeyOBHBXJGLHLSBOD-UHFFFAOYSA-N
XLogP0.52
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61266440
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pentanamide
CID 61241654
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814
2-methyl-2-piperazin-1-yl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391006
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 79815246
2-methyl-N-[(3-methylcyclopentyl)methyl]-2-piperazin-1-ylpropanamide
CID 107413127
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548800
3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 82511399

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide (CID 80548101) is 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide is CC1CCN(CCNC(=O)C(C)(C)N2CCNCC2)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide?
The InChIKey is OBHBXJGLHLSBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-14-4-9-19(10-5-14)11-8-18-15(21)16(2,3)20-12-6-17-7-13-20/h14,17H,4-13H2,1-3H3,(H,18,21).
What are the key properties of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide?
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide has a molecular weight of 296.46 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).