3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one

C15H28N2O3 — CID 60947240

IUPAC3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
SMILESCCOCCOC1CCN(C(=O)CCNC2CC2)CC1
InChIInChI=1S/C15H28N2O3/c1-2-19-11-12-20-14-6-9-17(10-7-14)15(18)5-8-16-13-3-4-13/h13-14,16H,2-12H2,1H3
InChIKeyWZNKJDRBFXUOJP-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.17
Rot. Bonds9

About 3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one

3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one (PubChem CID 60947240) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
PubChem CID60947240
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
SMILESCCOCCOC1CCN(C(=O)CCNC2CC2)CC1
InChIInChI=1S/C15H28N2O3/c1-2-19-11-12-20-14-6-9-17(10-7-14)15(18)5-8-16-13-3-4-13/h13-14,16H,2-12H2,1H3
InChIKeyWZNKJDRBFXUOJP-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-methoxypropyl)piperidin-4-yl]cyclopropanecarboxamide
CID 51081731
N-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanamide
CID 51077642
3-Ethoxy-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 58841293
N-[2-[4-(2-methoxyethoxy)piperidin-1-yl]ethyl]acetamide
CID 70287419
3-(Butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109013117
ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine
CID 142400939
N-(1-methylpiperidin-4-yl)-3-propan-2-yloxypropanamide;molecular hydrogen
CID 142467333
N-(1-methylpiperidin-4-yl)-3-propan-2-yloxypropanamide
CID 142467334
1-[4-[2-(3-Aminopropoxy)ethoxy]piperidin-1-yl]ethanone
CID 155579578
N-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethyl]propanamide
CID 155751772
3-Ethoxy-1-[4-(methylamino)piperidin-1-yl]propan-1-one;methane
CID 157897774
N-(1-methylpiperidin-4-yl)-3-propoxypropanamide
CID 163560657

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one (CID 60947240) is 3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one is CCOCCOC1CCN(C(=O)CCNC2CC2)CC1.
What is the InChIKey of 3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one?
The InChIKey is WZNKJDRBFXUOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-19-11-12-20-14-6-9-17(10-7-14)15(18)5-8-16-13-3-4-13/h13-14,16H,2-12H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one?
3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one has a molecular weight of 284.40 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 60947240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).