3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide

C26H51N5O2 — CID 167209945

IUPAC3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
SMILESCC(C)CCNCCNC(=O)CCN1CCC(CCCC2CCN(CCC(N)=O)CC2)CC1
InChIInChI=1S/C26H51N5O2/c1-22(2)6-13-28-14-15-29-26(33)12-21-31-18-9-24(10-19-31)5-3-4-23-7-16-30(17-8-23)20-11-25(27)32/h22-24,28H,3-21H2,1-2H3,(H2,27,32)(H,29,33)
InChIKeyZTUPWSVFOJRBTP-UHFFFAOYSA-N
MW465.73 g/mol
LogP2.60
Rot. Bonds16

About 3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide

3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide (PubChem CID 167209945) has the molecular formula C26H51N5O2 and a molecular weight of 465.73 g/mol. Its IUPAC name is 3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
PubChem CID167209945
Molecular FormulaC26H51N5O2
Molecular Weight465.73 g/mol
Exact Mass465.40
IUPAC Name3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
SMILESCC(C)CCNCCNC(=O)CCN1CCC(CCCC2CCN(CCC(N)=O)CC2)CC1
InChIInChI=1S/C26H51N5O2/c1-22(2)6-13-28-14-15-29-26(33)12-21-31-18-9-24(10-19-31)5-3-4-23-7-16-30(17-8-23)20-11-25(27)32/h22-24,28H,3-21H2,1-2H3,(H2,27,32)(H,29,33)
InChIKeyZTUPWSVFOJRBTP-UHFFFAOYSA-N
XLogP2.60
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.73
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide
CID 167209930
N-[2-(3-methylbutylamino)ethyl]-3-[4-[3-oxo-3-(propan-2-ylamino)propyl]piperazin-1-yl]propanamide
CID 167209873
N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
CID 121306066
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide
CID 101463324
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
CID 119898914
4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
CID 59793355
6-[4-(3-methylbutyl)piperidin-1-yl]hexanal
CID 164535749
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 54956799
3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
CID 62627528
4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
CID 71395080

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide?
The IUPAC name of 3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide (CID 167209945) is 3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide?
The canonical SMILES for 3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide is CC(C)CCNCCNC(=O)CCN1CCC(CCCC2CCN(CCC(N)=O)CC2)CC1.
What is the InChIKey of 3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide?
The InChIKey is ZTUPWSVFOJRBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N5O2/c1-22(2)6-13-28-14-15-29-26(33)12-21-31-18-9-24(10-19-31)5-3-4-23-7-16-30(17-8-23)20-11-25(27)32/h22-24,28H,3-21H2,1-2H3,(H2,27,32)(H,29,33).
What are the key properties of 3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide?
3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide has a molecular weight of 465.73 g/mol, XLogP of 2.60, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 167209945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).