2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone

C16H30N2O2 — CID 62015648

IUPAC2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN(CCO)C2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-13-9-14(2)11-18(10-13)16(20)12-17(7-8-19)15-5-3-4-6-15/h13-15,19H,3-12H2,1-2H3
InChIKeyNALAMZZZZQYUDS-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.73
Rot. Bonds5

About 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 62015648) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID62015648
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN(CCO)C2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-13-9-14(2)11-18(10-13)16(20)12-17(7-8-19)15-5-3-4-6-15/h13-15,19H,3-12H2,1-2H3
InChIKeyNALAMZZZZQYUDS-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

2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 62014674
2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54945218
1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 60806824
2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 66216113
2-[cyclopropyl(2-hydroxyethyl)amino]-1-morpholin-4-ylethanone
CID 60774443
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2-ethylpiperidin-1-yl)ethanone
CID 60694049
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395277
1-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]pyrrolidin-2-one
CID 60694146
3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 111114274
1-[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]pyrrolidin-2-one
CID 102870091
2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 47075930
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 62015648) is 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(C(=O)CN(CCO)C2CCCC2)C1.
What is the InChIKey of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is NALAMZZZZQYUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13-9-14(2)11-18(10-13)16(20)12-17(7-8-19)15-5-3-4-6-15/h13-15,19H,3-12H2,1-2H3.
What are the key properties of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-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(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62015648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).