4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide

C14H27N3O5 — CID 175352765

IUPAC4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(C(=O)C(O)CCCCO)CC1
InChIInChI=1S/C14H27N3O5/c1-22-11-5-15-14(21)17-8-6-16(7-9-17)13(20)12(19)4-2-3-10-18/h12,18-19H,2-11H2,1H3,(H,15,21)
InChIKeyAAESQOXAYOHDDS-UHFFFAOYSA-N
MW317.39 g/mol
LogP-0.99
Rot. Bonds8

About 4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide

4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 175352765) has the molecular formula C14H27N3O5 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID175352765
Molecular FormulaC14H27N3O5
Molecular Weight317.39 g/mol
Exact Mass317.20
IUPAC Name4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(C(=O)C(O)CCCCO)CC1
InChIInChI=1S/C14H27N3O5/c1-22-11-5-15-14(21)17-8-6-16(7-9-17)13(20)12(19)4-2-3-10-18/h12,18-19H,2-11H2,1H3,(H,15,21)
InChIKeyAAESQOXAYOHDDS-UHFFFAOYSA-N
XLogP-0.99
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 108890532
N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103320
4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 97039185
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
N-(2-methoxyethyl)-3,4-dimethylpiperazine-1-carboxamide
CID 167088370
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 86998998
N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
N-(3-hydroxy-4-methoxybutyl)morpholine-4-carboxamide
CID 103876112
4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105129
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide (CID 175352765) is 4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide is COCCNC(=O)N1CCN(C(=O)C(O)CCCCO)CC1.
What is the InChIKey of 4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is AAESQOXAYOHDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O5/c1-22-11-5-15-14(21)17-8-6-16(7-9-17)13(20)12(19)4-2-3-10-18/h12,18-19H,2-11H2,1H3,(H,15,21).
What are the key properties of 4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of -0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 175352765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).