2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide

C14H28N4O4 — CID 142043493

IUPAC2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
SMILESO=C(CO)NCCCN1CCN(CCCNC(=O)CO)CC1
InChIInChI=1S/C14H28N4O4/c19-11-13(21)15-3-1-5-17-7-9-18(10-8-17)6-2-4-16-14(22)12-20/h19-20H,1-12H2,(H,15,21)(H,16,22)
InChIKeyKWKRNFSWGNOIRZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP-2.40
Rot. Bonds10

About 2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide

2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide (PubChem CID 142043493) has the molecular formula C14H28N4O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
PubChem CID142043493
Molecular FormulaC14H28N4O4
Molecular Weight316.40 g/mol
Exact Mass316.21
IUPAC Name2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
SMILESO=C(CO)NCCCN1CCN(CCCNC(=O)CO)CC1
InChIInChI=1S/C14H28N4O4/c19-11-13(21)15-3-1-5-17-7-9-18(10-8-17)6-2-4-16-14(22)12-20/h19-20H,1-12H2,(H,15,21)(H,16,22)
InChIKeyKWKRNFSWGNOIRZ-UHFFFAOYSA-N
XLogP-2.40
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[3-[(2-hydroxyacetyl)amino]propyl]acetamide
CID 142043672
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
CID 61251319
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide
CID 59245387
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
2,2,2-trichloro-N-[3-[4-[3-[(2,2,2-trichloroacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 5084928
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide (CID 142043493) is 2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide is O=C(CO)NCCCN1CCN(CCCNC(=O)CO)CC1.
What is the InChIKey of 2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide?
The InChIKey is KWKRNFSWGNOIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O4/c19-11-13(21)15-3-1-5-17-7-9-18(10-8-17)6-2-4-16-14(22)12-20/h19-20H,1-12H2,(H,15,21)(H,16,22).
What are the key properties of 2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide?
2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide has a molecular weight of 316.40 g/mol, XLogP of -2.40, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 142043493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).