2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone

C17H30N2O3 — CID 120791276

IUPAC2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCC(OC2CCCC2)CC1)C1CCOCC1
InChIInChI=1S/C17H30N2O3/c18-16(13-7-11-21-12-8-13)17(20)19-9-5-15(6-10-19)22-14-3-1-2-4-14/h13-16H,1-12,18H2
InChIKeyNIFAAQNCQYYMJS-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.69
Rot. Bonds4

About 2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone

2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone (PubChem CID 120791276) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone
PubChem CID120791276
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCC(OC2CCCC2)CC1)C1CCOCC1
InChIInChI=1S/C17H30N2O3/c18-16(13-7-11-21-12-8-13)17(20)19-9-5-15(6-10-19)22-14-3-1-2-4-14/h13-16H,1-12,18H2
InChIKeyNIFAAQNCQYYMJS-UHFFFAOYSA-N
XLogP1.69
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
2-amino-1-[(3S)-3-methoxypyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793854
(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
CID 119312938
2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120785200
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-(oxan-4-yl)ethanone
CID 120791664
2-amino-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120796599
2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798264
2-amino-2-(oxan-4-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 120800008
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120788464
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120801010
2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
CID 120798878
2-amino-2-(oxan-4-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 120800962

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone (CID 120791276) is 2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone is NC(C(=O)N1CCC(OC2CCCC2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is NIFAAQNCQYYMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c18-16(13-7-11-21-12-8-13)17(20)19-9-5-15(6-10-19)22-14-3-1-2-4-14/h13-16H,1-12,18H2.
What are the key properties of 2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone?
2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 310.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120791276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).