N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide

C15H31N3O — CID 115189056

IUPACN,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide
SMILESCCCCCN(C)C(=O)C(C)(C)CN1CCNCC1
InChIInChI=1S/C15H31N3O/c1-5-6-7-10-17(4)14(19)15(2,3)13-18-11-8-16-9-12-18/h16H,5-13H2,1-4H3
InChIKeyOJJFTPHGGRQAPV-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.57
Rot. Bonds7

About N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide

N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide (PubChem CID 115189056) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide
PubChem CID115189056
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide
SMILESCCCCCN(C)C(=O)C(C)(C)CN1CCNCC1
InChIInChI=1S/C15H31N3O/c1-5-6-7-10-17(4)14(19)15(2,3)13-18-11-8-16-9-12-18/h16H,5-13H2,1-4H3
InChIKeyOJJFTPHGGRQAPV-UHFFFAOYSA-N
XLogP1.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189037
N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide
CID 174259846
2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide
CID 80548733
2-amino-N,2-dimethyl-N-pentylpentanamide
CID 60848756
N-methyl-N-(2-piperazin-1-ylethyl)nonan-1-amine
CID 63265554
N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid
CID 162263600
2-[6-[(7-carboxy-7-hexylpentadecyl)-(2-piperazin-1-ylethyl)amino]hexyl]-2-hexyldecanoic acid
CID 175937845
1-tricosylpiperazine
CID 130183651
N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548520
N-butyl-N-methyl-2-piperazin-1-ylpropanamide
CID 43130649
ethane;1-octylpiperazine
CID 144711845
N,N,2-trimethyl-1-piperazin-1-ylpropan-2-amine
CID 50852334

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide?
The IUPAC name of N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide (CID 115189056) is N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide.
What is the SMILES notation for N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide?
The canonical SMILES for N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide is CCCCCN(C)C(=O)C(C)(C)CN1CCNCC1.
What is the InChIKey of N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide?
The InChIKey is OJJFTPHGGRQAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-6-7-10-17(4)14(19)15(2,3)13-18-11-8-16-9-12-18/h16H,5-13H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide?
N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide is sourced from PubChem (CID 115189056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).