N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide

C13H27N3O — CID 112514504

IUPACN-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide
SMILESCCC(C)N(C)C(=O)CCCN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-4-12(2)15(3)13(17)6-5-9-16-10-7-14-8-11-16/h12,14H,4-11H2,1-3H3
InChIKeyIYLMOHNOHMQPPM-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds6

About N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide

N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide (PubChem CID 112514504) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide
PubChem CID112514504
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide
SMILESCCC(C)N(C)C(=O)CCCN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-4-12(2)15(3)13(17)6-5-9-16-10-7-14-8-11-16/h12,14H,4-11H2,1-3H3
InChIKeyIYLMOHNOHMQPPM-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-N-methyl-3-piperidin-4-ylpropanamide
CID 62210682
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
N-butan-2-yl-N-methyl-3-piperidin-4-yloxypropanamide
CID 63875957
N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
CID 115178480
1-tricosylpiperazine
CID 130183651
6-imidazolidin-1-yl-2-methylhexan-3-one
CID 58309908
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
CID 64661581
1-(8-methylnonyl)piperazine
CID 170614920
6-piperazin-1-ylhexanoic acid
CID 54010280
N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide
CID 90191014

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide?
The IUPAC name of N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide (CID 112514504) is N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide?
The canonical SMILES for N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide is CCC(C)N(C)C(=O)CCCN1CCNCC1.
What is the InChIKey of N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide?
The InChIKey is IYLMOHNOHMQPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-12(2)15(3)13(17)6-5-9-16-10-7-14-8-11-16/h12,14H,4-11H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide?
N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide is sourced from PubChem (CID 112514504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).