N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide

C24H39N3O3 — CID 54327044

IUPACN-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)NC(CN1CCN(C=O)CC1)C(O)c1ccccc1
InChIInChI=1S/C24H39N3O3/c1-2-3-4-5-6-7-11-14-23(29)25-22(24(30)21-12-9-8-10-13-21)19-26-15-17-27(20-28)18-16-26/h8-10,12-13,20,22,24,30H,2-7,11,14-19H2,1H3,(H,25,29)
InChIKeySVROVUWQDUPZSV-UHFFFAOYSA-N
MW417.59 g/mol
LogP3.12
Rot. Bonds14

About N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide

N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide (PubChem CID 54327044) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide.

Molecular Properties

Compound NameN-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide
PubChem CID54327044
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC NameN-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)NC(CN1CCN(C=O)CC1)C(O)c1ccccc1
InChIInChI=1S/C24H39N3O3/c1-2-3-4-5-6-7-11-14-23(29)25-22(24(30)21-12-9-8-10-13-21)19-26-15-17-27(20-28)18-16-26/h8-10,12-13,20,22,24,30H,2-7,11,14-19H2,1H3,(H,25,29)
InChIKeySVROVUWQDUPZSV-UHFFFAOYSA-N
XLogP3.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride
CID 11957677
N-[(1S,2S)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide;hydrochloride
CID 133124946
N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]octanamide
CID 59530793
N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide
CID 122605683
octyl N-[(1R,2R)-1-hydroxy-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 54510038
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide
CID 95149857
N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
CID 101078871
N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide
CID 11567627
N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]nonanamide
CID 59280122
4-(1,3-benzodioxol-4-yl)-N-(1-hydroxy-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)hexadecanamide
CID 91477676
[(3R,4R)-1,1-difluoro-3-(hexadecanoylamino)-4-hydroxy-4-phenylbutyl]phosphonic acid
CID 101208903

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide?
The IUPAC name of N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide (CID 54327044) is N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide.
What is the SMILES notation for N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide?
The canonical SMILES for N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide is CCCCCCCCCC(=O)NC(CN1CCN(C=O)CC1)C(O)c1ccccc1.
What is the InChIKey of N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide?
The InChIKey is SVROVUWQDUPZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-2-3-4-5-6-7-11-14-23(29)25-22(24(30)21-12-9-8-10-13-21)19-26-15-17-27(20-28)18-16-26/h8-10,12-13,20,22,24,30H,2-7,11,14-19H2,1H3,(H,25,29).
What are the key properties of N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide?
N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide has a molecular weight of 417.59 g/mol, XLogP of 3.12, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide is sourced from PubChem (CID 54327044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).