4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde

C20H30N4O4 — CID 163267553

IUPAC4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde
SMILESCC(CCC(=O)NC=O)N(C)C.O=Cc1ccc(N2CCNCC2)cc1C=O
InChIInChI=1S/C12H14N2O2.C8H16N2O2/c15-8-10-1-2-12(7-11(10)9-16)14-5-3-13-4-6-14;1-7(10(2)3)4-5-8(12)9-6-11/h1-2,7-9,13H,3-6H2;6-7H,4-5H2,1-3H3,(H,9,11,12)
InChIKeyVZADYWNYGADXIB-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.71
Rot. Bonds8

About 4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde

4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde (PubChem CID 163267553) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde
PubChem CID163267553
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde
SMILESCC(CCC(=O)NC=O)N(C)C.O=Cc1ccc(N2CCNCC2)cc1C=O
InChIInChI=1S/C12H14N2O2.C8H16N2O2/c15-8-10-1-2-12(7-11(10)9-16)14-5-3-13-4-6-14;1-7(10(2)3)4-5-8(12)9-6-11/h1-2,7-9,13H,3-6H2;6-7H,4-5H2,1-3H3,(H,9,11,12)
InChIKeyVZADYWNYGADXIB-UHFFFAOYSA-N
XLogP0.71
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

hydroxylamine;2-[(5-oxopentan-2-ylamino)methyl]-4-piperazin-1-ylbenzaldehyde
CID 169161584
4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide
CID 166947852
4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
CID 154670775
N-(1-formamido-1-oxopentan-2-yl)-2-formyl-N-methyl-4-[4-(5-methyloctyl)piperazin-1-yl]benzamide
CID 156819845
N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 142407969
N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 134580150
N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide
CID 174263043
2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde
CID 171564653
5-(azetidin-3-yl)-N-(5-formamido-5-oxopentan-2-yl)-N-formyl-2-methylbenzamide
CID 170979044
1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea
CID 79159730
1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
CID 28707300
N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride
CID 138393542

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde?
The IUPAC name of 4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde (CID 163267553) is 4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde.
What is the SMILES notation for 4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde?
The canonical SMILES for 4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde is CC(CCC(=O)NC=O)N(C)C.O=Cc1ccc(N2CCNCC2)cc1C=O.
What is the InChIKey of 4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde?
The InChIKey is VZADYWNYGADXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.C8H16N2O2/c15-8-10-1-2-12(7-11(10)9-16)14-5-3-13-4-6-14;1-7(10(2)3)4-5-8(12)9-6-11/h1-2,7-9,13H,3-6H2;6-7H,4-5H2,1-3H3,(H,9,11,12).
What are the key properties of 4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde?
4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde has a molecular weight of 390.48 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde is sourced from PubChem (CID 163267553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).