2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C16H31N3O — CID 63852717

IUPAC2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCCNC(C)C1CCCN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C16H31N3O/c1-3-8-17-14(2)15-7-6-9-18(12-15)13-16(20)19-10-4-5-11-19/h14-15,17H,3-13H2,1-2H3
InChIKeyXLERWBYXSXHKNI-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds6

About 2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 63852717) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID63852717
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCCNC(C)C1CCCN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C16H31N3O/c1-3-8-17-14(2)15-7-6-9-18(12-15)13-16(20)19-10-4-5-11-19/h14-15,17H,3-13H2,1-2H3
InChIKeyXLERWBYXSXHKNI-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone
CID 63855346
N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63853778
N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63853783
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63854116
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 112630179
3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid
CID 43308794
N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
CID 63852890
1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203458
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 63852717) is 2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone is CCCNC(C)C1CCCN(CC(=O)N2CCCC2)C1.
What is the InChIKey of 2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is XLERWBYXSXHKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-8-17-14(2)15-7-6-9-18(12-15)13-16(20)19-10-4-5-11-19/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 281.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 63852717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).