2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone

C16H30N2O2 — CID 131943805

IUPAC2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCN(C)CC1(CO)CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-17(2)11-16(13-19)8-5-9-18(12-16)15(20)10-14-6-3-4-7-14/h14,19H,3-13H2,1-2H3
InChIKeyDUGYVEPFZIBCMJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.73
Rot. Bonds5

About 2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone

2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 131943805) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID131943805
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCN(C)CC1(CO)CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-17(2)11-16(13-19)8-5-9-18(12-16)15(20)10-14-6-3-4-7-14/h14,19H,3-13H2,1-2H3
InChIKeyDUGYVEPFZIBCMJ-UHFFFAOYSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide
CID 131934406
1-[(3R)-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99946177
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
3-cyclohexyl-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 124996744
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
2-[acetyl-[(4S)-1-(2-cyclopentylacetyl)azepan-4-yl]amino]acetic acid
CID 129468615
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
(3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125435428
(3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97453605
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide;formic acid
CID 154907037

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 131943805) is 2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone is CN(C)CC1(CO)CCCN(C(=O)CC2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is DUGYVEPFZIBCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-17(2)11-16(13-19)8-5-9-18(12-16)15(20)10-14-6-3-4-7-14/h14,19H,3-13H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 282.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 131943805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).