1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one

C15H29N3O2 — CID 63905461

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one
SMILESCN(C)CC1CCCN1C(=O)CCOC1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-17(2)12-13-4-3-10-18(13)15(19)7-11-20-14-5-8-16-9-6-14/h13-14,16H,3-12H2,1-2H3
InChIKeyRFMVNWYESLLISE-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds6

About 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one (PubChem CID 63905461) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one
PubChem CID63905461
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one
SMILESCN(C)CC1CCCN1C(=O)CCOC1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-17(2)12-13-4-3-10-18(13)15(19)7-11-20-14-5-8-16-9-6-14/h13-14,16H,3-12H2,1-2H3
InChIKeyRFMVNWYESLLISE-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63902985
1-(4-methylazepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63904324
7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one
CID 62889816
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251851
1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione
CID 62890091
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-piperidin-4-yloxypropan-1-one
CID 63875294
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115905128
2-piperidin-4-yloxy-1-(2-propylpiperidin-1-yl)ethanone
CID 83052721
3-methyl-4-(3-piperidin-4-yloxypropanoyl)piperazin-2-one
CID 55251248

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one (CID 63905461) is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one is CN(C)CC1CCCN1C(=O)CCOC1CCNCC1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one?
The InChIKey is RFMVNWYESLLISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-17(2)12-13-4-3-10-18(13)15(19)7-11-20-14-5-8-16-9-6-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one?
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one has a molecular weight of 283.42 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 63905461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).