2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone

C13H24N2O2 — CID 54990051

IUPAC2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCCN(C(=O)CNCC2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-12-4-3-7-15(10-12)13(16)9-14-8-11-5-6-11/h11-12,14H,2-10H2,1H3
InChIKeyVRSBQCVLTHEHFI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds6

About 2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone

2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone (PubChem CID 54990051) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
PubChem CID54990051
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCCN(C(=O)CNCC2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-12-4-3-7-15(10-12)13(16)9-14-8-11-5-6-11/h11-12,14H,2-10H2,1H3
InChIKeyVRSBQCVLTHEHFI-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119821813
1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
CID 107026169
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
4-chloro-1-(3-ethoxypiperidin-1-yl)butan-1-one
CID 63308584
1-(3-ethoxypiperidin-1-yl)-2-propylsulfanylethanone
CID 47737118
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 79278895

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone (CID 54990051) is 2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone is CCOC1CCCN(C(=O)CNCC2CC2)C1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone?
The InChIKey is VRSBQCVLTHEHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-12-4-3-7-15(10-12)13(16)9-14-8-11-5-6-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone?
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 54990051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).