3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide

C26H36N4O2 — CID 142137848

IUPAC3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide
SMILESNN1CCN(C(=O)CC(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1
InChIInChI=1S/C26H36N4O2/c27-30-19-17-29(18-20-30)26(32)21-25(31)28-24(15-7-13-22-9-3-1-4-10-22)16-8-14-23-11-5-2-6-12-23/h1-6,9-12,24H,7-8,13-21,27H2,(H,28,31)
InChIKeyPWJOZBFKRBLCTO-UHFFFAOYSA-N
MW436.60 g/mol
LogP2.92
Rot. Bonds11

About 3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide

3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide (PubChem CID 142137848) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide
PubChem CID142137848
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide
SMILESNN1CCN(C(=O)CC(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1
InChIInChI=1S/C26H36N4O2/c27-30-19-17-29(18-20-30)26(32)21-25(31)28-24(15-7-13-22-9-3-1-4-10-22)16-8-14-23-11-5-2-6-12-23/h1-6,9-12,24H,7-8,13-21,27H2,(H,28,31)
InChIKeyPWJOZBFKRBLCTO-UHFFFAOYSA-N
XLogP2.92
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide
CID 142137849
1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide
CID 18727466
3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
CID 108942374
2-amino-N-(1,5-diphenylpentan-3-yl)acetamide
CID 119340752
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
tert-butyl 4-(1,7-diphenylheptan-4-ylcarbamoyl)piperidine-1-carboxylate;1,7-diphenylheptan-4-amine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 161413603
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
CID 60672286
3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108951179
2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
CID 114333519
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide?
The IUPAC name of 3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide (CID 142137848) is 3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide.
What is the SMILES notation for 3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide?
The canonical SMILES for 3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide is NN1CCN(C(=O)CC(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1.
What is the InChIKey of 3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide?
The InChIKey is PWJOZBFKRBLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c27-30-19-17-29(18-20-30)26(32)21-25(31)28-24(15-7-13-22-9-3-1-4-10-22)16-8-14-23-11-5-2-6-12-23/h1-6,9-12,24H,7-8,13-21,27H2,(H,28,31).
What are the key properties of 3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide?
3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide has a molecular weight of 436.60 g/mol, XLogP of 2.92, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide is sourced from PubChem (CID 142137848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).