2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone

C16H30N2O2 — CID 120795292

IUPAC2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCC(C)CC1CCCN(C(=O)C(N)C2CCOCC2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)10-13-4-3-7-18(11-13)16(19)15(17)14-5-8-20-9-6-14/h12-15H,3-11,17H2,1-2H3
InChIKeyYWCCBKQRFRVFFR-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.03
Rot. Bonds4

About 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone

2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120795292) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID120795292
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCC(C)CC1CCCN(C(=O)C(N)C2CCOCC2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)10-13-4-3-7-18(11-13)16(19)15(17)14-5-8-20-9-6-14/h12-15H,3-11,17H2,1-2H3
InChIKeyYWCCBKQRFRVFFR-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120792917
2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793368
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120801010
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 120790923
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120801009
2-amino-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120796599
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride
CID 120790917
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 120787494
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376
2-amino-1-[(3S)-3-methoxypyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793854
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120788464

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone (CID 120795292) is 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone is CC(C)CC1CCCN(C(=O)C(N)C2CCOCC2)C1.
What is the InChIKey of 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is YWCCBKQRFRVFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)10-13-4-3-7-18(11-13)16(19)15(17)14-5-8-20-9-6-14/h12-15H,3-11,17H2,1-2H3.
What are the key properties of 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 282.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120795292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).