1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone

C29H56N4O3 — CID 161217275

IUPAC1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone
SMILESCCC(=O)N1CCN(C(=O)CC)CC1.CCCC1CCN(C(C)=O)CC1.CCCC1CCN(C)CC1
InChIInChI=1S/C10H18N2O2.C10H19NO.C9H19N/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-4-10-5-7-11(8-6-10)9(2)12;1-3-4-9-5-7-10(2)8-6-9/h3-8H2,1-2H3;10H,3-8H2,1-2H3;9H,3-8H2,1-2H3
InChIKeyUXAMGGNTRGBDOA-UHFFFAOYSA-N
MW508.79 g/mol
LogP4.65
Rot. Bonds6

About 1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone

1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone (PubChem CID 161217275) has the molecular formula C29H56N4O3 and a molecular weight of 508.79 g/mol. Its IUPAC name is 1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone
PubChem CID161217275
Molecular FormulaC29H56N4O3
Molecular Weight508.79 g/mol
Exact Mass508.44
IUPAC Name1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone
SMILESCCC(=O)N1CCN(C(=O)CC)CC1.CCCC1CCN(C(C)=O)CC1.CCCC1CCN(C)CC1
InChIInChI=1S/C10H18N2O2.C10H19NO.C9H19N/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-4-10-5-7-11(8-6-10)9(2)12;1-3-4-9-5-7-10(2)8-6-9/h3-8H2,1-2H3;10H,3-8H2,1-2H3;9H,3-8H2,1-2H3
InChIKeyUXAMGGNTRGBDOA-UHFFFAOYSA-N
XLogP4.65
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.79
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-Bis(1-decylnipecotoyl)piperazine
CID 146247
Piperazine, 1,4-bis((1-hexyl-3-piperidinyl)carbonyl)-, dihydriodide
CID 3079901
N,N'-bis(1-hexylnipecotoyl)piperazine
CID 146249
N,N'-(Ethane-1,2-diyl)bis(1-hexyl-N-methylpiperidine-3-carboxamide)
CID 13300503
3-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[3-(1-methylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121177
3-(1-Ethylpiperidin-1-ium-1-yl)-1-[4-[3-(1-ethylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199464
1-[4-[7-(4-Acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone
CID 44521777
2-(3-Methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226820
1-(3,5-Dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229560
2-[4-[2-[bis(3-methylbutyl)amino]-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N,N-bis(3-methylbutyl)acetamide
CID 3576906
4-({4-[3-(4-ethyl-1-piperazinyl)-3-oxopropyl]-1-piperidinyl}carbonyl)-N,N-dimethyl-1-piperidinecarboxamide
CID 25280827
2-Ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one
CID 42881407

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone?
The IUPAC name of 1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone (CID 161217275) is 1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone is CCC(=O)N1CCN(C(=O)CC)CC1.CCCC1CCN(C(C)=O)CC1.CCCC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone?
The InChIKey is UXAMGGNTRGBDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C10H19NO.C9H19N/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-4-10-5-7-11(8-6-10)9(2)12;1-3-4-9-5-7-10(2)8-6-9/h3-8H2,1-2H3;10H,3-8H2,1-2H3;9H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone?
1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone has a molecular weight of 508.79 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylpiperidine;1-(4-propanoylpiperazin-1-yl)propan-1-one;1-(4-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 161217275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).