3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide

C16H32N4O2 — CID 167209930

IUPAC3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide
SMILESCC(C)CCCNC(=O)CCN1CCN(CCC(N)=O)CC1
InChIInChI=1S/C16H32N4O2/c1-14(2)4-3-7-18-16(22)6-9-20-12-10-19(11-13-20)8-5-15(17)21/h14H,3-13H2,1-2H3,(H2,17,21)(H,18,22)
InChIKeySCNLXCCHTSMDHY-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.42
Rot. Bonds10

About 3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide

3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide (PubChem CID 167209930) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide
PubChem CID167209930
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide
SMILESCC(C)CCCNC(=O)CCN1CCN(CCC(N)=O)CC1
InChIInChI=1S/C16H32N4O2/c1-14(2)4-3-7-18-16(22)6-9-20-12-10-19(11-13-20)8-5-15(17)21/h14H,3-13H2,1-2H3,(H2,17,21)(H,18,22)
InChIKeySCNLXCCHTSMDHY-UHFFFAOYSA-N
XLogP0.42
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.42
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

3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
CID 167209945
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide
CID 113340869
N-[2-(3-methylbutylamino)ethyl]-3-[4-[3-oxo-3-(propan-2-ylamino)propyl]piperazin-1-yl]propanamide
CID 167209873
2-[4-(carboxymethyl)-7-[2-(4-methylpentylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]acetic acid
CID 155715635
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
CID 61043178
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
CID 156820113
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide (CID 167209930) is 3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide is CC(C)CCCNC(=O)CCN1CCN(CCC(N)=O)CC1.
What is the InChIKey of 3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide?
The InChIKey is SCNLXCCHTSMDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-14(2)4-3-7-18-16(22)6-9-20-12-10-19(11-13-20)8-5-15(17)21/h14H,3-13H2,1-2H3,(H2,17,21)(H,18,22).
What are the key properties of 3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide?
3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide has a molecular weight of 312.46 g/mol, XLogP of 0.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 167209930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).