1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one

C17H32N2O2 — CID 167010737

IUPAC1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCCC1CCN(CC2CCN(C(=O)CCOC)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-3-15-4-9-18(10-5-15)14-16-6-11-19(12-7-16)17(20)8-13-21-2/h15-16H,3-14H2,1-2H3
InChIKeyXYPDEGYCPNYAMB-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.38
Rot. Bonds6

About 1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one

1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 167010737) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID167010737
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCCC1CCN(CC2CCN(C(=O)CCOC)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-3-15-4-9-18(10-5-15)14-16-6-11-19(12-7-16)17(20)8-13-21-2/h15-16H,3-14H2,1-2H3
InChIKeyXYPDEGYCPNYAMB-UHFFFAOYSA-N
XLogP2.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 87018945
2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
CID 79615303
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 146558847
1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 129178233
2-methoxyethyl 4-ethylpiperidine-1-carboxylate
CID 70658235
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
ethane;1-[2-[2-[3-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 178062995
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one
CID 178000200
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one (CID 167010737) is 1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one is CCC1CCN(CC2CCN(C(=O)CCOC)CC2)CC1.
What is the InChIKey of 1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is XYPDEGYCPNYAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-15-4-9-18(10-5-15)14-16-6-11-19(12-7-16)17(20)8-13-21-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one?
1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 167010737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).