N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide

C20H37N3O2 — CID 98742769

IUPACN-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC2CC2)[C@@H](CCO)C1)NC1CCCCCCC1
InChIInChI=1S/C20H37N3O2/c24-13-10-19-15-22(11-12-23(19)14-17-8-9-17)16-20(25)21-18-6-4-2-1-3-5-7-18/h17-19,24H,1-16H2,(H,21,25)/t19-/m0/s1
InChIKeyVHCLOKRBQKGENE-IBGZPJMESA-N
MW351.54 g/mol
LogP1.99
Rot. Bonds7

About N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide

N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide (PubChem CID 98742769) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide
PubChem CID98742769
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC NameN-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC2CC2)[C@@H](CCO)C1)NC1CCCCCCC1
InChIInChI=1S/C20H37N3O2/c24-13-10-19-15-22(11-12-23(19)14-17-8-9-17)16-20(25)21-18-6-4-2-1-3-5-7-18/h17-19,24H,1-16H2,(H,21,25)/t19-/m0/s1
InChIKeyVHCLOKRBQKGENE-IBGZPJMESA-N
XLogP1.99
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690342
2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 124753533
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
N-(cyclopentylcarbamoyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115647897
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29087603
2-[4-(cyclohexylmethyl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 45242147
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide (CID 98742769) is N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(CC2CC2)[C@@H](CCO)C1)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The InChIKey is VHCLOKRBQKGENE-IBGZPJMESA-N. The full InChI is InChI=1S/C20H37N3O2/c24-13-10-19-15-22(11-12-23(19)14-17-8-9-17)16-20(25)21-18-6-4-2-1-3-5-7-18/h17-19,24H,1-16H2,(H,21,25)/t19-/m0/s1.
What are the key properties of N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide?
N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide has a molecular weight of 351.54 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 98742769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).