1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone

C16H30N2O — CID 143121471

IUPAC1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone
SMILESCCCN(CC)C1CCN(C(=O)CC2(C)CC2)CC1
InChIInChI=1S/C16H30N2O/c1-4-10-17(5-2)14-6-11-18(12-7-14)15(19)13-16(3)8-9-16/h14H,4-13H2,1-3H3
InChIKeyOFSQUWHHPDRAPJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.90
Rot. Bonds6

About 1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone

1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone (PubChem CID 143121471) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone
PubChem CID143121471
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone
SMILESCCCN(CC)C1CCN(C(=O)CC2(C)CC2)CC1
InChIInChI=1S/C16H30N2O/c1-4-10-17(5-2)14-6-11-18(12-7-14)15(19)13-16(3)8-9-16/h14H,4-13H2,1-3H3
InChIKeyOFSQUWHHPDRAPJ-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone?
The IUPAC name of 1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone (CID 143121471) is 1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone.
What is the SMILES notation for 1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone?
The canonical SMILES for 1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone is CCCN(CC)C1CCN(C(=O)CC2(C)CC2)CC1.
What is the InChIKey of 1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone?
The InChIKey is OFSQUWHHPDRAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-10-17(5-2)14-6-11-18(12-7-14)15(19)13-16(3)8-9-16/h14H,4-13H2,1-3H3.
What are the key properties of 1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone?
1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(propyl)amino]piperidin-1-yl]-2-(1-methylcyclopropyl)ethanone is sourced from PubChem (CID 143121471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).