N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide

C16H33N3O2 — CID 22272678

IUPACN-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
SMILESCCCCCCCNC(=O)CN1CCN(CCCO)CC1
InChIInChI=1S/C16H33N3O2/c1-2-3-4-5-6-8-17-16(21)15-19-12-10-18(11-13-19)9-7-14-20/h20H,2-15H2,1H3,(H,17,21)
InChIKeyCJPZXUFINZDLBW-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.07
Rot. Bonds11

About N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide

N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide (PubChem CID 22272678) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
PubChem CID22272678
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
SMILESCCCCCCCNC(=O)CN1CCN(CCCO)CC1
InChIInChI=1S/C16H33N3O2/c1-2-3-4-5-6-8-17-16(21)15-19-12-10-18(11-13-19)9-7-14-20/h20H,2-15H2,1H3,(H,17,21)
InChIKeyCJPZXUFINZDLBW-UHFFFAOYSA-N
XLogP1.07
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.07
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-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 22272726
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-[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
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-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(6-pyrrolidin-1-ylhexylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457655
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide?
The IUPAC name of N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide (CID 22272678) is N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide is CCCCCCCNC(=O)CN1CCN(CCCO)CC1.
What is the InChIKey of N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide?
The InChIKey is CJPZXUFINZDLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-2-3-4-5-6-8-17-16(21)15-19-12-10-18(11-13-19)9-7-14-20/h20H,2-15H2,1H3,(H,17,21).
What are the key properties of N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide?
N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide has a molecular weight of 299.46 g/mol, XLogP of 1.07, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22272678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).