1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone

C16H29N3O2 — CID 103557359

IUPAC1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CCC(N3CCC(N)CC3)C2)CCC1
InChIInChI=1S/C16H29N3O2/c1-21-16(6-2-7-16)11-15(20)19-10-5-14(12-19)18-8-3-13(17)4-9-18/h13-14H,2-12,17H2,1H3
InChIKeyHNYOQWRCRPEGHA-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.97
Rot. Bonds4

About 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone

1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103557359) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
PubChem CID103557359
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CCC(N3CCC(N)CC3)C2)CCC1
InChIInChI=1S/C16H29N3O2/c1-21-16(6-2-7-16)11-15(20)19-10-5-14(12-19)18-8-3-13(17)4-9-18/h13-14H,2-12,17H2,1H3
InChIKeyHNYOQWRCRPEGHA-UHFFFAOYSA-N
XLogP0.97
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103557253
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 103165068
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 80552639
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918
1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide
CID 103522077
1-(3-amino-3-methylazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558366
N'-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboximidamide
CID 103557944
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557372
2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64678060
1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid
CID 103555656
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180972
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
CID 80552459

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone (CID 103557359) is 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)N2CCC(N3CCC(N)CC3)C2)CCC1.
What is the InChIKey of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is HNYOQWRCRPEGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-21-16(6-2-7-16)11-15(20)19-10-5-14(12-19)18-8-3-13(17)4-9-18/h13-14H,2-12,17H2,1H3.
What are the key properties of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 295.43 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103557359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).