2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone

C14H28N2O2 — CID 61170154

IUPAC2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone
SMILESCCCOC1CCCN(C(=O)CNC(C)CC)C1
InChIInChI=1S/C14H28N2O2/c1-4-9-18-13-7-6-8-16(11-13)14(17)10-15-12(3)5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyKTSHVOOXVJMNGK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds7

About 2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone

2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone (PubChem CID 61170154) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone
PubChem CID61170154
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone
SMILESCCCOC1CCCN(C(=O)CNC(C)CC)C1
InChIInChI=1S/C14H28N2O2/c1-4-9-18-13-7-6-8-16(11-13)14(17)10-15-12(3)5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyKTSHVOOXVJMNGK-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 79278895
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61216682
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(butan-2-ylamino)ethanone
CID 55164061
5-chloro-1-(3-propoxypiperidin-1-yl)pentan-1-one
CID 61169567
2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid
CID 65299943
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771
1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61363713
(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
CID 116654904

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone (CID 61170154) is 2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone is CCCOC1CCCN(C(=O)CNC(C)CC)C1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone?
The InChIKey is KTSHVOOXVJMNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-9-18-13-7-6-8-16(11-13)14(17)10-15-12(3)5-2/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone?
2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone has a molecular weight of 256.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 61170154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).