3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide

C21H40N4O2 — CID 90442249

IUPAC3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide
SMILESCCCCNC(=O)CCN1CCC(C2CCN(CCC(=O)NC)CC2)CC1
InChIInChI=1S/C21H40N4O2/c1-3-4-11-23-21(27)10-17-25-14-7-19(8-15-25)18-5-12-24(13-6-18)16-9-20(26)22-2/h18-19H,3-17H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyQJUAKJHJXDRUDJ-UHFFFAOYSA-N
MW380.58 g/mol
LogP1.85
Rot. Bonds10

About 3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide

3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide (PubChem CID 90442249) has the molecular formula C21H40N4O2 and a molecular weight of 380.58 g/mol. Its IUPAC name is 3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide
PubChem CID90442249
Molecular FormulaC21H40N4O2
Molecular Weight380.58 g/mol
Exact Mass380.32
IUPAC Name3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide
SMILESCCCCNC(=O)CCN1CCC(C2CCN(CCC(=O)NC)CC2)CC1
InChIInChI=1S/C21H40N4O2/c1-3-4-11-23-21(27)10-17-25-14-7-19(8-15-25)18-5-12-24(13-6-18)16-9-20(26)22-2/h18-19H,3-17H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyQJUAKJHJXDRUDJ-UHFFFAOYSA-N
XLogP1.85
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 51.85
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-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide
CID 90442251
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
CID 109017998
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879
3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide
CID 165007896
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79609077

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide (CID 90442249) is 3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide is CCCCNC(=O)CCN1CCC(C2CCN(CCC(=O)NC)CC2)CC1.
What is the InChIKey of 3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide?
The InChIKey is QJUAKJHJXDRUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O2/c1-3-4-11-23-21(27)10-17-25-14-7-19(8-15-25)18-5-12-24(13-6-18)16-9-20(26)22-2/h18-19H,3-17H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide?
3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide has a molecular weight of 380.58 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 90442249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).