(3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone

C19H32N2O — CID 6464482

IUPAC(3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC1
InChIInChI=1S/C19H32N2O/c1-4-20-5-7-21(8-6-20)16(22)19-11-15-9-17(2,13-19)12-18(3,10-15)14-19/h15H,4-14H2,1-3H3
InChIKeyFPKIVQBNPXQCGW-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.15
Rot. Bonds2

About (3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone

(3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 6464482) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID6464482
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name(3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC1
InChIInChI=1S/C19H32N2O/c1-4-20-5-7-21(8-6-20)16(22)19-11-15-9-17(2,13-19)12-18(3,10-15)14-19/h15H,4-14H2,1-3H3
InChIKeyFPKIVQBNPXQCGW-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone (CID 6464482) is (3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC1.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is FPKIVQBNPXQCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-4-20-5-7-21(8-6-20)16(22)19-11-15-9-17(2,13-19)12-18(3,10-15)14-19/h15H,4-14H2,1-3H3.
What are the key properties of (3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone?
(3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 304.48 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 6464482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).