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

C17H33N3O — CID 63855346

IUPAC1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone
SMILESCCCNC(C)C1CCCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-3-9-18-15(2)16-8-7-10-19(13-16)14-17(21)20-11-5-4-6-12-20/h15-16,18H,3-14H2,1-2H3
InChIKeySHLFIKUWIWOQGJ-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.10
Rot. Bonds6

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

1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone (PubChem CID 63855346) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone
PubChem CID63855346
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone
SMILESCCCNC(C)C1CCCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-3-9-18-15(2)16-8-7-10-19(13-16)14-17(21)20-11-5-4-6-12-20/h15-16,18H,3-14H2,1-2H3
InChIKeySHLFIKUWIWOQGJ-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63852717
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
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 112630179
1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63854116
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
3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203458
N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
CID 63854641
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone (CID 63855346) is 1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone is CCCNC(C)C1CCCN(CC(=O)N2CCCCC2)C1.
What is the InChIKey of 1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone?
The InChIKey is SHLFIKUWIWOQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-9-18-15(2)16-8-7-10-19(13-16)14-17(21)20-11-5-4-6-12-20/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone?
1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone has a molecular weight of 295.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 63855346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).