2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide

C16H34N4O — CID 63344025

IUPAC2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C16H34N4O/c1-6-14(7-2)18-15(21)13(3)19-8-10-20(11-9-19)16(4,5)12-17/h13-14H,6-12,17H2,1-5H3,(H,18,21)
InChIKeyDIXLARKPFQSRSR-UHFFFAOYSA-N
MW298.48 g/mol
LogP1.03
Rot. Bonds7

About 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide

2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide (PubChem CID 63344025) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide
PubChem CID63344025
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C16H34N4O/c1-6-14(7-2)18-15(21)13(3)19-8-10-20(11-9-19)16(4,5)12-17/h13-14H,6-12,17H2,1-5H3,(H,18,21)
InChIKeyDIXLARKPFQSRSR-UHFFFAOYSA-N
XLogP1.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 60719341
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide
CID 63340524
N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide
CID 60818780
2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63763368
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 81494901
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 47147108
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 115874021
2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 79993821
2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide
CID 79680833
3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid
CID 63136330

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide (CID 63344025) is 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N1CCN(C(C)(C)CN)CC1.
What is the InChIKey of 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide?
The InChIKey is DIXLARKPFQSRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-6-14(7-2)18-15(21)13(3)19-8-10-20(11-9-19)16(4,5)12-17/h13-14H,6-12,17H2,1-5H3,(H,18,21).
What are the key properties of 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide?
2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide has a molecular weight of 298.48 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63344025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).