N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

C15H31N3O2 — CID 22272726

IUPACN-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESCCCCCCCNC(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C15H31N3O2/c1-2-3-4-5-6-7-16-15(20)14-18-10-8-17(9-11-18)12-13-19/h19H,2-14H2,1H3,(H,16,20)
InChIKeyCSJVBOYMBFRJCD-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.68
Rot. Bonds10

About N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (PubChem CID 22272726) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
PubChem CID22272726
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESCCCCCCCNC(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C15H31N3O2/c1-2-3-4-5-6-7-16-15(20)14-18-10-8-17(9-11-18)12-13-19/h19H,2-14H2,1H3,(H,16,20)
InChIKeyCSJVBOYMBFRJCD-UHFFFAOYSA-N
XLogP0.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272678
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide
CID 78827366
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
CID 61485839
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(6-pyrrolidin-1-ylhexylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457655

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (CID 22272726) is N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is CCCCCCCNC(=O)CN1CCN(CCO)CC1.
What is the InChIKey of N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The InChIKey is CSJVBOYMBFRJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-2-3-4-5-6-7-16-15(20)14-18-10-8-17(9-11-18)12-13-19/h19H,2-14H2,1H3,(H,16,20).
What are the key properties of N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide has a molecular weight of 285.43 g/mol, XLogP of 0.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22272726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).