2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide

C17H27N3O — CID 80547453

IUPAC2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCCc1ccccc1)N1CCNCC1
InChIInChI=1S/C17H27N3O/c1-17(2,20-13-11-18-12-14-20)16(21)19-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,18H,6,9-14H2,1-2H3,(H,19,21)
InChIKeyGGGWTCZVNDNZNN-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.42
Rot. Bonds6

About 2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide

2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide (PubChem CID 80547453) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
PubChem CID80547453
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCCc1ccccc1)N1CCNCC1
InChIInChI=1S/C17H27N3O/c1-17(2,20-13-11-18-12-14-20)16(21)19-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,18H,6,9-14H2,1-2H3,(H,19,21)
InChIKeyGGGWTCZVNDNZNN-UHFFFAOYSA-N
XLogP1.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.42
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

N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548800
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide
CID 65269650
2-methyl-2-piperazin-1-yl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391006
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443
2-amino-2-methyl-N-(5-phenylpentyl)propanamide
CID 119317062
2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid
CID 82239792
2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide
CID 80549830
2-amino-2-methyl-N-(5-phenylpentyl)propanamide;hydrochloride
CID 119317061
5-[[(2-methyl-2-piperazin-1-ylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 80550567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide (CID 80547453) is 2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide is CC(C)(C(=O)NCCCc1ccccc1)N1CCNCC1.
What is the InChIKey of 2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide?
The InChIKey is GGGWTCZVNDNZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,20-13-11-18-12-14-20)16(21)19-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,18H,6,9-14H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide?
2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80547453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).