2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide

C16H33N3O — CID 80548733

IUPAC2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide
SMILESCCCCCN(C(=O)C(C)(C)N1CCNCC1)C(C)C
InChIInChI=1S/C16H33N3O/c1-6-7-8-11-19(14(2)3)15(20)16(4,5)18-12-9-17-10-13-18/h14,17H,6-13H2,1-5H3
InChIKeyCJKHDUSQGMKRMH-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.10
Rot. Bonds7

About 2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide

2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide (PubChem CID 80548733) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide
PubChem CID80548733
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide
SMILESCCCCCN(C(=O)C(C)(C)N1CCNCC1)C(C)C
InChIInChI=1S/C16H33N3O/c1-6-7-8-11-19(14(2)3)15(20)16(4,5)18-12-9-17-10-13-18/h14,17H,6-13H2,1-5H3
InChIKeyCJKHDUSQGMKRMH-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.10
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-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548717
N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548520
4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128354
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548772
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide
CID 115189056
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
2-methyl-2-piperazin-1-ylnonanoic acid
CID 54890751
2-carbamothioyl-2-methyl-N-pentyl-N-propan-2-ylbutanamide
CID 114292127
2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide
CID 43269882
N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550578
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80551052

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide?
The IUPAC name of 2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide (CID 80548733) is 2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide is CCCCCN(C(=O)C(C)(C)N1CCNCC1)C(C)C.
What is the InChIKey of 2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide?
The InChIKey is CJKHDUSQGMKRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-7-8-11-19(14(2)3)15(20)16(4,5)18-12-9-17-10-13-18/h14,17H,6-13H2,1-5H3.
What are the key properties of 2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide?
2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide has a molecular weight of 283.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide is sourced from PubChem (CID 80548733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).