N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide

C12H25N5O2 — CID 63266126

IUPACN-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)CCN1CCNCC1
InChIInChI=1S/C12H25N5O2/c1-10(11(18)15-12(19)13-2)16(3)8-9-17-6-4-14-5-7-17/h10,14H,4-9H2,1-3H3,(H2,13,15,18,19)
InChIKeyWYUVFPAITWIBRO-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.33
Rot. Bonds5

About N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide

N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide (PubChem CID 63266126) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
PubChem CID63266126
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC NameN-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)CCN1CCNCC1
InChIInChI=1S/C12H25N5O2/c1-10(11(18)15-12(19)13-2)16(3)8-9-17-6-4-14-5-7-17/h10,14H,4-9H2,1-3H3,(H2,13,15,18,19)
InChIKeyWYUVFPAITWIBRO-UHFFFAOYSA-N
XLogP-1.33
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63266204
N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride
CID 119915218
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
CID 64661581
2-[methyl(2-piperazin-1-ylethyl)amino]butanamide
CID 63266206
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 79389621
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
(2R)-N-(2-methylbutan-2-yl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 97087184
2-methyl-3-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63265226
N-(methylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301559
(2R)-N-methyl-2-[methyl-[2-[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
CID 101497284

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide (CID 63266126) is N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide is CNC(=O)NC(=O)C(C)N(C)CCN1CCNCC1.
What is the InChIKey of N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide?
The InChIKey is WYUVFPAITWIBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2/c1-10(11(18)15-12(19)13-2)16(3)8-9-17-6-4-14-5-7-17/h10,14H,4-9H2,1-3H3,(H2,13,15,18,19).
What are the key properties of N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide?
N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide has a molecular weight of 271.36 g/mol, XLogP of -1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide is sourced from PubChem (CID 63266126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).