N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide

C13H26N4O2 — CID 54985265

IUPACN-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide
SMILESCCCN(CC(=O)NC)C(=O)C(C)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-4-7-17(10-12(18)14-3)13(19)11(2)16-8-5-15-6-9-16/h11,15H,4-10H2,1-3H3,(H,14,18)
InChIKeyYCYDJQRBFILFMM-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.74
Rot. Bonds6

About N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide

N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide (PubChem CID 54985265) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide
PubChem CID54985265
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide
SMILESCCCN(CC(=O)NC)C(=O)C(C)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-4-7-17(10-12(18)14-3)13(19)11(2)16-8-5-15-6-9-16/h11,15H,4-10H2,1-3H3,(H,14,18)
InChIKeyYCYDJQRBFILFMM-UHFFFAOYSA-N
XLogP-0.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 62838165
N-ethyl-N-(2-methylpropyl)-2-piperazin-1-ylpropanamide
CID 43274010
N-butyl-N-methyl-2-piperazin-1-ylpropanamide
CID 43130649
N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide
CID 63691474
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62727427
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide
CID 61442974
N-cyclopropyl-N-ethyl-2-piperazin-1-ylpropanamide
CID 43264445
methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate
CID 43130551
N-methyl-N-(4-methylpentan-2-yl)-2-piperazin-1-ylpropanamide
CID 55000406
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide
CID 54995362

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide (CID 54985265) is N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide is CCCN(CC(=O)NC)C(=O)C(C)N1CCNCC1.
What is the InChIKey of N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide?
The InChIKey is YCYDJQRBFILFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-4-7-17(10-12(18)14-3)13(19)11(2)16-8-5-15-6-9-16/h11,15H,4-10H2,1-3H3,(H,14,18).
What are the key properties of N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide?
N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide has a molecular weight of 270.38 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide is sourced from PubChem (CID 54985265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).